(2-methyl-4-nitro-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (2-methyl-4-nitro-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (2-methyl-4-nitro-pyrazol-3-yl)-[4-(m-tolylmethyl)piperazin-1-yl]methanone CAS Name: (2-methyl-4-nitro-3-pyrazolyl)-[4-[(3-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-methyl-4-nitropyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [4-(3-methylbenzyl)piperazino]-(2-methyl-4-nitro-pyrazol-3-yl)methanone Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=C(C=NN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=C(C=NN3C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c1-13-4-3-5-14(10-13)12-20-6-8-21(9-7-20)17(23)16-15(22(24)25)11-18-19(16)2/h3-5,10-11H,6-9,12H2,1-2H3