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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > azamacrocycle > lsm-36770
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > lsm-36770
organooxygen compound > carboxamide > lactam > lsm-36770
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > lsm-36770
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > lsm-36770
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > lsm-36770

Preferred term

lsm-36770  

Type

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

Broader concept

charge

  • 0

formula

  • C27H31ClN2O4

inchi

  • InChI=1S/C27H31ClN2O4/c1-19-26(21-9-5-3-6-10-21)34-25(32)12-8-4-7-11-22(27(33)30(19)2)17-24(31)29-18-20-13-15-23(28)16-14-20/h3-7,9-10,13-16,19,22,26H,8,11-12,17-18H2,1-2H3,(H,29,31)/t19-,22-,26-/m0/s1

inchikey

  • VHDCLXBXMSVMBZ-NHZRIVAWSA-N

mass

  • 483.000

monoisotopicmass

  • 482.19724

smiles

  • C[C@H]1[C@H](OC(=O)CCC=CC[C@H](C(=O)N1C)CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125299

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