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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(o-tolylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(2-methylbenzyl)piperazino]propan-1-one Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H27N5O3/c1-15-6-4-5-7-18(15)14-22-10-12-23(13-11-22)19(26)8-9-24-17(3)20(25(27)28)16(2)21-24/h4-7H,8-14H2,1-3H3