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

Systemtic Name: cyclopropyl-[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: cyclopropyl-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazin-1-yl]methanone CAS Name: cyclopropyl-[4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: cyclopropyl-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]piperazin-1-yl]methanone Traditional Name: cyclopropyl-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazino]methanone Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4/c26-19(15-2-3-15)24-12-10-22(11-13-24)17-5-4-16(14-18(17)25(28)29)20(27)23-8-1-6-21-7-9-23/h4-5,14-15,21H,1-3,6-13H2