(5-methyl-1-phenyl-pyrazol-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone CAS Name: (5-methyl-1-phenyl-4-pyrazolyl)-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (5-methyl-1-phenylpyrazol-4-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (5-methyl-1-phenyl-pyrazol-4-yl)-[4-(2-nitrophenyl)piperazino]methanone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

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