N-[2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclopentanecarboxamide

Systemtic Name: N-[2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclopentanecarboxamide Openeye Name: N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopentanecarboxamide CAS Name: N-[2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]cyclopentanecarboxamide IUPAC Name: N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclopentanecarboxamide Traditional Name: N-[5-(piperazine-1-carbonyl)-2-(4-veratroyl-1,4-diazepan-1-yl)phenyl]cyclopentanecarboxamide Formula: C31H41N5O5 MolecularWeight: 563.68774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CCCC5)OC

InChI

InChI=1S/C31H41N5O5/c1-40-27-11-9-24(21-28(27)41-2)31(39)35-15-5-14-34(18-19-35)26-10-8-23(30(38)36-16-12-32-13-17-36)20-25(26)33-29(37)22-6-3-4-7-22/h8-11,20-22,32H,3-7,12-19H2,1-2H3,(H,33,37)