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

Systemtic Name: N-[2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide CAS Name: N-[2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide Traditional Name: N-[5-(piperazine-1-carbonyl)-2-(4-veratroyl-1,4-diazepan-1-yl)phenyl]nicotinamide Formula: C31H36N6O5 MolecularWeight: 572.65474

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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)C5=CN=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CN=CC=C5)OC

InChI

InChI=1S/C31H36N6O5/c1-41-27-9-7-23(20-28(27)42-2)31(40)36-14-4-13-35(17-18-36)26-8-6-22(30(39)37-15-11-32-12-16-37)19-25(26)34-29(38)24-5-3-10-33-21-24/h3,5-10,19-21,32H,4,11-18H2,1-2H3,(H,34,38)