5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: N-benzyl-5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxamide CAS Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-benzyl-5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxamide Traditional Name: N-benzyl-5-butyl-1-[4-(2-cyanophenyl)benzyl]pyrazole-3-carboxamide Formula: C29H28N4O MolecularWeight: 448.55882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C29H28N4O/c1-2-3-12-26-18-28(29(34)31-20-22-9-5-4-6-10-22)32-33(26)21-23-14-16-24(17-15-23)27-13-8-7-11-25(27)19-30/h4-11,13-18H,2-3,12,20-21H2,1H3,(H,31,34)