ethyl 1-[(3-cyano-4-phenyl-phenyl)methyl]-5-pentyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[(3-cyano-4-phenyl-phenyl)methyl]-5-pentyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-[(3-cyano-4-phenyl-phenyl)methyl]-5-pentyl-pyrazole-3-carboxylate CAS Name: 1-[(3-cyano-4-phenylphenyl)methyl]-5-pentyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-cyano-4-phenylphenyl)methyl]-5-pentylpyrazole-3-carboxylate Traditional Name: 5-amyl-1-(3-cyano-4-phenyl-benzyl)pyrazole-3-carboxylic acid ethyl ester Formula: C25H27N3O2 MolecularWeight: 401.50078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=NN1CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)C(=O)OCC

Isomeric SMILES

CCCCCC1=CC(=NN1CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)C(=O)OCC

InChI

InChI=1S/C25H27N3O2/c1-3-5-7-12-22-16-24(25(29)30-4-2)27-28(22)18-19-13-14-23(21(15-19)17-26)20-10-8-6-9-11-20/h6,8-11,13-16H,3-5,7,12,18H2,1-2H3