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

Systemtic Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(m-tolylmethyl)piperazin-1-yl]propan-1-one CAS Name: 2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-(3-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=C1)CN2CCN(CC2)C(=O)C(C)CN3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C(C)CN3C(=CC(=N3)[N+](=O)[O-])C

InChI

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