ethyl 1-(4-methylphenyl)-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate Openeye Name: ethyl 5-[(E)-1-methyl-2-phenyl-vinyl]-1-(p-tolyl)pyrazole-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-[(E)-1-phenylprop-1-en-2-yl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylphenyl)-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate Traditional Name: 5-[(E)-1-methyl-2-phenyl-vinyl]-1-(p-tolyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2/c1-4-26-22(25)20-15-21(17(3)14-18-8-6-5-7-9-18)24(23-20)19-12-10-16(2)11-13-19/h5-15H,4H2,1-3H3/b17-14+