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

Systemtic Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(o-tolylmethyl)piperazin-1-yl]propan-1-one CAS Name: 2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-(2-methylbenzyl)piperazino]-3-(5-methyl-3-nitro-pyrazol-1-yl)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)C(C)CN3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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