[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(2-nitrophenyl)piperazin-1-yl]-[3-(p-tolyl)-1H-pyrazol-5-yl]methanone CAS Name: [3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(2-nitrophenyl)piperazino]-[3-(p-tolyl)-1H-pyrazol-5-yl]methanone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c1-15-6-8-16(9-7-15)17-14-18(23-22-17)21(27)25-12-10-24(11-13-25)19-4-2-3-5-20(19)26(28)29/h2-9,14H,10-13H2,1H3,(H,22,23)