4-cyano-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 4-cyano-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]benzamide Openeye Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-cyano-N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-(4-nicotinoylpiperazino)phenyl]benzamide Formula: C30H31N7O3 MolecularWeight: 537.61224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31N7O3/c31-20-22-4-6-23(7-5-22)28(38)34-26-19-24(29(39)36-13-2-11-32-12-14-36)8-9-27(26)35-15-17-37(18-16-35)30(40)25-3-1-10-33-21-25/h1,3-10,19,21,32H,2,11-18H2,(H,34,38)