[4-(azepan-1-yl)-3-nitro-phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-[4-(2,3-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(2,3-dimethylphenyl)piperazino]methanone Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C25H32N4O3/c1-19-8-7-9-22(20(19)2)27-14-16-28(17-15-27)25(30)21-10-11-23(24(18-21)29(31)32)26-12-5-3-4-6-13-26/h7-11,18H,3-6,12-17H2,1-2H3