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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > 4-fluoro-n-[(5s,6s,9r)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > 4-fluoro-n-[(5s,6s,9r)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
organooxygen compound > carboxamide > lactam > 4-fluoro-n-[(5s,6s,9r)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > 4-fluoro-n-[(5s,6s,9r)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > 4-fluoro-n-[(5s,6s,9r)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > 4-fluoro-n-[(5s,6s,9r)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide

Preferred term

4-fluoro-n-[(5s,6s,9r)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide  

Type

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

Broader concept

charge

  • 0

formula

  • C27H36FN3O4

inchi

  • InChI=1S/C27H36FN3O4/c1-6-13-31-15-18(2)25(34-5)16-30(4)27(33)23-12-11-22(14-24(23)35-17-19(31)3)29-26(32)20-7-9-21(28)10-8-20/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H,29,32)/t18-,19+,25+/m0/s1

inchikey

  • QPDYUGYUVJBCGY-OSWQYVSFSA-N

mass

  • 485.592

monoisotopicmass

  • 485.26898

smiles

  • CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)OC[C@H]1C)C)OC)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:104402

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