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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O4/c1-32-21-8-6-7-20(18-21)25-13-15-27(16-14-25)24(29)19-9-10-22(23(17-19)28(30)31)26-11-4-2-3-5-12-26/h6-10,17-18H,2-5,11-16H2,1H3