N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-m-anisoylpiperazino)phenyl]nicotinamide Formula: C30H34N6O4 MolecularWeight: 542.62876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C30H34N6O4/c1-40-25-7-2-5-22(19-25)29(38)36-17-15-34(16-18-36)27-9-8-23(30(39)35-13-4-11-31-12-14-35)20-26(27)33-28(37)24-6-3-10-32-21-24/h2-3,5-10,19-21,31H,4,11-18H2,1H3,(H,33,37)