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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-2-phenyl-ethanamide Openeye Name: N-[2-(4-benzoylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]-2-phenyl-acetamide CAS Name: N-[2-(4-benzoyl-1-piperazinyl)-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-2-phenylacetamide IUPAC Name: N-[2-(4-benzoylpiperazin-1-yl)-5-(1,4-diazepane-1-carbonyl)phenyl]-2-phenylacetamide Traditional Name: N-[2-(4-benzoylpiperazino)-5-(1,4-diazepane-1-carbonyl)phenyl]-2-phenyl-acetamide Formula: C31H35N5O3 MolecularWeight: 525.6413

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H35N5O3/c37-29(22-24-8-3-1-4-9-24)33-27-23-26(31(39)35-16-7-14-32-15-17-35)12-13-28(27)34-18-20-36(21-19-34)30(38)25-10-5-2-6-11-25/h1-6,8-13,23,32H,7,14-22H2,(H,33,37)