1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(2-nitroanilino)butan-1-one CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-(2-nitroanilino)-1-butanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(2-nitroanilino)butan-1-one Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-4-(2-nitroanilino)butan-1-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-17-7-5-10-20(18(17)2)24-13-15-25(16-14-24)22(27)11-6-12-23-19-8-3-4-9-21(19)26(28)29/h3-5,7-10,23H,6,11-16H2,1-2H3