1-[4-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(3-methyl-2-nitro-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-methyl-2-nitrophenyl)-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(3-methyl-2-nitrobenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3-methyl-2-nitro-benzoyl)piperazino]phenyl]ethanone Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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