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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]pyridine-4-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]pyridine-4-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]pyridine-4-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-m-anisoylpiperazino)phenyl]isonicotinamide 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=CC=NC=C5

Isomeric SMILES

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

InChI

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