(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3/c1-15-20(16(2)26(23-15)17-6-4-3-5-7-17)21(28)25-12-10-24(11-13-25)18-8-9-19(22-14-18)27(29)30/h3-9,14H,10-13H2,1-2H3