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

Systemtic Name: 4-cyano-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-cyano-N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazino]phenyl]benzamide Formula: C32H34N6O3 MolecularWeight: 550.65076

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=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)CC4=CC=CC=C4)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C32H34N6O3/c33-23-25-7-9-26(10-8-25)31(40)35-28-22-27(32(41)38-15-4-13-34-14-16-38)11-12-29(28)36-17-19-37(20-18-36)30(39)21-24-5-2-1-3-6-24/h1-3,5-12,22,34H,4,13-21H2,(H,35,40)