1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(2-nitrophenyl)-1-piperazinyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(2-nitrophenyl)piperazino]ethanone Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H31N5O3/c30-24(20-26-12-6-11-25(13-14-26)19-21-7-2-1-3-8-21)28-17-15-27(16-18-28)22-9-4-5-10-23(22)29(31)32/h1-5,7-10H,6,11-20H2