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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[2-(4-benzoylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide CAS Name: N-[2-(4-benzoyl-1-piperazinyl)-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[2-(4-benzoylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide Traditional Name: N-[2-(4-benzoylpiperazino)-5-(1,4-diazepane-1-carbonyl)phenyl]nicotinamide Formula: C29H32N6O3 MolecularWeight: 512.60278

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C29H32N6O3/c36-27(24-8-4-11-31-21-24)32-25-20-23(29(38)34-14-5-12-30-13-15-34)9-10-26(25)33-16-18-35(19-17-33)28(37)22-6-2-1-3-7-22/h1-4,6-11,20-21,30H,5,12-19H2,(H,32,36)