1-[4-[4-[2-(methylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(methylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[2-(methylamino)-5-nitro-benzoyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[2-(methylamino)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[2-(methylamino)-5-nitrobenzoyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[2-(methylamino)-5-nitro-benzoyl]piperazino]phenyl]ethanone Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-14(25)15-3-5-16(6-4-15)22-9-11-23(12-10-22)20(26)18-13-17(24(27)28)7-8-19(18)21-2/h3-8,13,21H,9-12H2,1-2H3