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

Systemtic Name: N-tert-butyl-5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxamide Openeye Name: N-tert-butyl-5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxamide CAS Name: N-tert-butyl-5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: N-tert-butyl-5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-3-carboxamide Traditional Name: N-tert-butyl-5-butyl-1-[4-(2-cyanophenyl)benzyl]pyrazole-3-carboxamide Formula: C26H30N4O MolecularWeight: 414.5426

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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O/c1-5-6-10-22-16-24(25(31)28-26(2,3)4)29-30(22)18-19-12-14-20(15-13-19)23-11-8-7-9-21(23)17-27/h7-9,11-16H,5-6,10,18H2,1-4H3,(H,28,31)