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

Systemtic Name: 1-[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1-piperazinyl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazino]-2-(4-methoxyphenyl)ethanone Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O5/c1-35-21-6-3-19(4-7-21)17-24(31)28-15-13-27(14-16-28)22-8-5-20(18-23(22)30(33)34)25(32)29-11-2-9-26-10-12-29/h3-8,18,26H,2,9-17H2,1H3