1-cyanoethyl 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 1-cyanoethyl 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 1-cyanoethyl 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid 1-cyanoethyl ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C#N)OC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3/c1-14(12-21)26-20(24)18-13-23(16-8-4-3-5-9-16)22-19(18)15-7-6-10-17(11-15)25-2/h3-11,13-14H,1-2H3