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

Systemtic Name: N-[2-[4-[2-(4-methoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[2-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide CAS Name: N-[2-[4-[2-(4-methoxyphenyl)-1-oxoethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide Traditional Name: N-[2-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]nicotinamide Formula: C31H36N6O4 MolecularWeight: 556.65534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N6O4/c1-41-26-8-5-23(6-9-26)20-29(38)36-15-3-14-35(18-19-36)28-10-7-24(31(40)37-16-12-32-13-17-37)21-27(28)34-30(39)25-4-2-11-33-22-25/h2,4-11,21-22,32H,3,12-20H2,1H3,(H,34,39)