(diphenylmethyl) 5-cyano-1-(4-ethoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: (diphenylmethyl) 5-cyano-1-(4-ethoxyphenyl)pyrazole-3-carboxylate Openeye Name: benzhydryl 5-cyano-1-(4-ethoxyphenyl)pyrazole-3-carboxylate CAS Name: 5-cyano-1-(4-ethoxyphenyl)-3-pyrazolecarboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 5-cyano-1-(4-ethoxyphenyl)pyrazole-3-carboxylate Traditional Name: 5-cyano-1-p-phenetyl-pyrazole-3-carboxylic acid benzhydryl ester Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H21N3O3/c1-2-31-23-15-13-21(14-16-23)29-22(18-27)17-24(28-29)26(30)32-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,25H,2H2,1H3