[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazino]-phenyl-methanone Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4/c29-22(18-5-2-1-3-6-18)27-15-13-25(14-16-27)20-8-7-19(17-21(20)28(31)32)23(30)26-11-4-9-24-10-12-26/h1-3,5-8,17,24H,4,9-16H2