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

Systemtic Name: ethyl 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylate CAS Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-1H-pyrazole-3-carboxylate Traditional Name: 5-butyl-4-[4-(2-cyanophenyl)benzyl]-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C24H25N3O2 MolecularWeight: 387.4742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NN1)C(=O)OCC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=C(C(=NN1)C(=O)OCC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C24H25N3O2/c1-3-5-10-22-21(23(27-26-22)24(28)29-4-2)15-17-11-13-18(14-12-17)20-9-7-6-8-19(20)16-25/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,26,27)