ethyl 5-[(E)-1,2-diphenylethenyl]-1-(4-methylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-1,2-diphenylethenyl]-1-(4-methylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-[(E)-1,2-diphenylvinyl]-1-(p-tolyl)pyrazole-3-carboxylate CAS Name: 5-[(E)-1,2-diphenylethenyl]-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-1,2-diphenylethenyl]-1-(4-methylphenyl)pyrazole-3-carboxylate Traditional Name: 5-[(E)-1,2-diphenylvinyl]-1-(p-tolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C27H24N2O2 MolecularWeight: 408.49166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(=CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H24N2O2/c1-3-31-27(30)25-19-26(29(28-25)23-16-14-20(2)15-17-23)24(22-12-8-5-9-13-22)18-21-10-6-4-7-11-21/h4-19H,3H2,1-2H3/b24-18+