[5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-piperidin-1-yl-methanone Openeye Name: [5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-(1-piperidyl)methanone CAS Name: [5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)-3-pyrazolyl]-(1-piperidinyl)methanone IUPAC Name: [5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-piperidin-1-ylmethanone Traditional Name: [5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-piperidino-methanone Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H24N4O3/c1-16-6-7-18(14-17(16)2)21-15-22(23(28)25-12-4-3-5-13-25)26(24-21)19-8-10-20(11-9-19)27(29)30/h6-11,14-15H,3-5,12-13H2,1-2H3