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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-1-[4-(o-tolylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-1-[4-(2-methylbenzyl)piperazino]propan-1-one Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C(C)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C(C)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H29N5O3/c1-15-7-5-6-8-19(15)14-23-9-11-24(12-10-23)21(27)16(2)13-25-18(4)20(26(28)29)17(3)22-25/h5-8,16H,9-14H2,1-4H3