1-[4-(2-methylphenyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[4-(2-methylphenyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one Openeye Name: 4-(2-nitroanilino)-1-[4-(o-tolyl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(2-methylphenyl)-1-piperazinyl]-4-(2-nitroanilino)-1-butanone IUPAC Name: 1-[4-(2-methylphenyl)piperazin-1-yl]-4-(2-nitroanilino)butan-1-one Traditional Name: 4-(2-nitroanilino)-1-[4-(o-tolyl)piperazino]butan-1-one Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-17-7-2-4-9-19(17)23-13-15-24(16-14-23)21(26)11-6-12-22-18-8-3-5-10-20(18)25(27)28/h2-5,7-10,22H,6,11-16H2,1H3