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

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(2-methoxyphenyl)piperazino]methanone Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O4/c1-32-23-9-5-4-8-21(23)26-14-16-27(17-15-26)24(29)19-10-11-20(22(18-19)28(30)31)25-12-6-2-3-7-13-25/h4-5,8-11,18H,2-3,6-7,12-17H2,1H3