[4-(azepan-1-yl)-3-nitro-phenyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(m-tolyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-[4-(3-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(m-tolyl)piperazino]methanone Formula: C24H30N4O3 MolecularWeight: 422.52

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3/c1-19-7-6-8-21(17-19)25-13-15-27(16-14-25)24(29)20-9-10-22(23(18-20)28(30)31)26-11-4-2-3-5-12-26/h6-10,17-18H,2-5,11-16H2,1H3