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

Systemtic Name: [4-[3-(azepan-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(4-chlorophenyl)methanone Openeye Name: [4-[3-(azepan-1-yl)-4-nitro-phenyl]piperazin-1-yl]-(4-chlorophenyl)methanone CAS Name: [4-[3-(1-azepanyl)-4-nitrophenyl]-1-piperazinyl]-(4-chlorophenyl)methanone IUPAC Name: [4-[3-(azepan-1-yl)-4-nitrophenyl]piperazin-1-yl]-(4-chlorophenyl)methanone Traditional Name: [4-[3-(azepan-1-yl)-4-nitro-phenyl]piperazino]-(4-chlorophenyl)methanone Formula: C23H27ClN4O3 MolecularWeight: 442.93848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H27ClN4O3/c24-19-7-5-18(6-8-19)23(29)27-15-13-25(14-16-27)20-9-10-21(28(30)31)22(17-20)26-11-3-1-2-4-12-26/h5-10,17H,1-4,11-16H2