1-[4-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3-methyl-4-nitro-benzoyl)piperazino]phenyl]ethanone Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-14-13-17(5-8-19(14)23(26)27)20(25)22-11-9-21(10-12-22)18-6-3-16(4-7-18)15(2)24/h3-8,13H,9-12H2,1-2H3