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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > (8r,9r)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > (8r,9r)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
organooxygen compound > carboxamide > lactam > (8r,9r)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > (8r,9r)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > (8r,9r)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > (8r,9r)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

Preferred term

(8r,9r)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2r)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C23H33Cl2N5O3

inchi

  • InChI=1S/C23H33Cl2N5O3/c1-16-10-30(17(2)14-31)23(32)5-4-8-29-12-19(26-27-29)15-33-22(16)13-28(3)11-18-6-7-20(24)21(25)9-18/h6-7,9,12,16-17,22,31H,4-5,8,10-11,13-15H2,1-3H3/t16-,17-,22+/m1/s1

inchikey

  • ATJIIPBEGAKQFE-YVHKJVDXSA-N

mass

  • 498.447

monoisotopicmass

  • 497.19605

smiles

  • C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)N=N2)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96845

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