ethyl 3-(4-methylphenyl)carbonyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 3-(4-methylphenyl)carbonyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-(4-methylbenzoyl)-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate CAS Name: 3-[(4-methylphenyl)-oxomethyl]-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylbenzoyl)-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate Traditional Name: 4-phenyl-5-p-toluoyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=NN1)C(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(C(=NN1)C(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c1-3-25-20(24)18-16(14-7-5-4-6-8-14)17(21-22-18)19(23)15-11-9-13(2)10-12-15/h4-12,16,18,22H,3H2,1-2H3