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

Systemtic Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: [3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C27H26N6O3 MolecularWeight: 482.53374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)C

InChI

InChI=1S/C27H26N6O3/c1-19-8-9-21(16-20(19)2)26-24(18-32(29-26)22-6-4-3-5-7-22)27(34)31-14-12-30(13-15-31)23-10-11-25(28-17-23)33(35)36/h3-11,16-18H,12-15H2,1-2H3