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

Systemtic Name: [2-(3-methylphenyl)-5-(4-nitrophenyl)pyrazol-3-yl]-piperidin-1-yl-methanone Openeye Name: [2-(m-tolyl)-5-(4-nitrophenyl)pyrazol-3-yl]-(1-piperidyl)methanone CAS Name: [2-(3-methylphenyl)-5-(4-nitrophenyl)-3-pyrazolyl]-(1-piperidinyl)methanone IUPAC Name: [2-(3-methylphenyl)-5-(4-nitrophenyl)pyrazol-3-yl]-piperidin-1-ylmethanone Traditional Name: [2-(m-tolyl)-5-(4-nitrophenyl)pyrazol-3-yl]-piperidino-methanone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N4CCCCC4

InChI

InChI=1S/C22H22N4O3/c1-16-6-5-7-19(14-16)25-21(22(27)24-12-3-2-4-13-24)15-20(23-25)17-8-10-18(11-9-17)26(28)29/h5-11,14-15H,2-4,12-13H2,1H3