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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]-2-phenyl-ethanamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]phenyl]-2-phenyl-acetamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-2-phenylacetamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]phenyl]-2-phenylacetamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(morpholine-4-carbonyl)piperazino]phenyl]-2-phenyl-acetamide Formula: C29H38N6O4 MolecularWeight: 534.64982

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCOCC4)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCOCC4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H38N6O4/c36-27(21-23-5-2-1-3-6-23)31-25-22-24(28(37)33-11-4-9-30-10-12-33)7-8-26(25)32-13-15-34(16-14-32)29(38)35-17-19-39-20-18-35/h1-3,5-8,22,30H,4,9-21H2,(H,31,36)