1-[4-[4-(3,5-dimethyl-4-nitro-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(3,5-dimethyl-4-nitro-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(3,5-dimethyl-4-nitro-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3,5-dimethyl-4-nitrophenyl)-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(3,5-dimethyl-4-nitrobenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3,5-dimethyl-4-nitro-benzoyl)piperazino]phenyl]ethanone Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1[N+](=O)[O-])C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H23N3O4/c1-14-12-18(13-15(2)20(14)24(27)28)21(26)23-10-8-22(9-11-23)19-6-4-17(5-7-19)16(3)25/h4-7,12-13H,8-11H2,1-3H3