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

Systemtic Name: 4-cyano-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenyl]benzamide Openeye Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-cyano-N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-(4-isonicotinoylpiperazino)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=CC=NC=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=CC=NC=C4)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C30H31N7O3/c31-21-22-2-4-23(5-3-22)28(38)34-26-20-25(30(40)36-14-1-10-32-13-15-36)6-7-27(26)35-16-18-37(19-17-35)29(39)24-8-11-33-12-9-24/h2-9,11-12,20,32H,1,10,13-19H2,(H,34,38)