2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(m-tolyl)piperazino]ethanone Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H23N5O3/c1-13-5-4-6-16(11-13)20-7-9-21(10-8-20)17(24)12-22-15(3)18(23(25)26)14(2)19-22/h4-6,11H,7-10,12H2,1-3H3