methyl 5-cyclohexa-1,4-dien-1-yl-2-phenyl-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: methyl 5-cyclohexa-1,4-dien-1-yl-2-phenyl-3,4-dihydropyrazole-3-carboxylate Openeye Name: methyl 5-cyclohexa-1,4-dien-1-yl-2-phenyl-3,4-dihydropyrazole-3-carboxylate CAS Name: 5-(1-cyclohexa-1,4-dienyl)-2-phenyl-3,4-dihydropyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyclohexa-1,4-dien-1-yl-2-phenyl-3,4-dihydropyrazole-3-carboxylate Traditional Name: 5-cyclohexa-1,4-dien-1-yl-2-phenyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=NN1C2=CC=CC=C2)C3=CCC=CC3

Isomeric SMILES

COC(=O)C1CC(=NN1C2=CC=CC=C2)C3=CCC=CC3

InChI

InChI=1S/C17H18N2O2/c1-21-17(20)16-12-15(13-8-4-2-5-9-13)18-19(16)14-10-6-3-7-11-14/h2-4,6-7,9-11,16H,5,8,12H2,1H3