ethyl 2-ethanoyl-4-(4-methylphenyl)-3-(phenylcarbonyl)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: ethyl 2-ethanoyl-4-(4-methylphenyl)-3-(phenylcarbonyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: ethyl 2-acetyl-3-benzoyl-4-(p-tolyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: 2-acetyl-3-benzoyl-4-(4-methylphenyl)-3,4-dihydropyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-benzoyl-4-(4-methylphenyl)-3,4-dihydropyrazole-5-carboxylate Traditional Name: 1-acetyl-5-benzoyl-4-(p-tolyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1C2=CC=C(C=C2)C)C(=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=NN(C(C1C2=CC=C(C=C2)C)C(=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C22H22N2O4/c1-4-28-22(27)19-18(16-12-10-14(2)11-13-16)20(24(23-19)15(3)25)21(26)17-8-6-5-7-9-17/h5-13,18,20H,4H2,1-3H3