ethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propyl-pyrazole-3-carboxylate CAS Name: 1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]-5-propylpyrazole-3-carboxylate Traditional Name: 1-[4-(2-cyanophenyl)benzyl]-5-propyl-pyrazole-3-carboxylic acid ethyl ester Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OCC

InChI

InChI=1S/C23H23N3O2/c1-3-7-20-14-22(23(27)28-4-2)25-26(20)16-17-10-12-18(13-11-17)21-9-6-5-8-19(21)15-24/h5-6,8-14H,3-4,7,16H2,1-2H3