2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)CC(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C27H35N5O4/c1-21-11-12-23(24(19-21)32(35)36)28-27(34)26(22-9-5-4-6-10-22)31-17-15-29(16-18-31)20-25(33)30-13-7-2-3-8-14-30/h4-6,9-12,19,26H,2-3,7-8,13-18,20H2,1H3,(H,28,34)