[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-nitro-1H-pyrazol-5-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-nitro-1H-pyrazol-5-yl)methanone Openeye Name: (4-nitro-1H-pyrazol-5-yl)-[4-(p-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1-piperazinyl]-(4-nitro-1H-pyrazol-5-yl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-nitro-1H-pyrazol-5-yl)methanone Traditional Name: [4-(4-methylbenzyl)piperazino]-(4-nitro-1H-pyrazol-5-yl)methanone Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3/c1-12-2-4-13(5-3-12)11-19-6-8-20(9-7-19)16(22)15-14(21(23)24)10-17-18-15/h2-5,10H,6-9,11H2,1H3,(H,17,18)