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

Systemtic Name: 1-[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazino]-2-phenyl-ethanone Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O4/c30-23(17-19-5-2-1-3-6-19)27-15-13-26(14-16-27)21-8-7-20(18-22(21)29(32)33)24(31)28-11-4-9-25-10-12-28/h1-3,5-8,18,25H,4,9-17H2