1-[4-(3-methylphenyl)piperazin-1-yl]-4-[(4-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-4-[(4-nitrophenyl)amino]butan-1-one Openeye Name: 1-[4-(m-tolyl)piperazin-1-yl]-4-(4-nitroanilino)butan-1-one CAS Name: 1-[4-(3-methylphenyl)-1-piperazinyl]-4-(4-nitroanilino)-1-butanone IUPAC Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-4-(4-nitroanilino)butan-1-one Traditional Name: 1-[4-(m-tolyl)piperazino]-4-(4-nitroanilino)butan-1-one Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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