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

Systemtic Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-octyl-pyrazole-3-carboxamide Openeye Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-octyl-pyrazole-3-carboxamide CAS Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-octyl-3-pyrazolecarboxamide IUPAC Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-octylpyrazole-3-carboxamide Traditional Name: 5-butyl-1-[4-(2-cyanophenyl)benzyl]-N-octyl-pyrazole-3-carboxamide Formula: C30H38N4O MolecularWeight: 470.64892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=NN(C(=C1)CCCC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCCCCCNC(=O)C1=NN(C(=C1)CCCC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C30H38N4O/c1-3-5-7-8-9-12-20-32-30(35)29-21-27(14-6-4-2)34(33-29)23-24-16-18-25(19-17-24)28-15-11-10-13-26(28)22-31/h10-11,13,15-19,21H,3-9,12,14,20,23H2,1-2H3,(H,32,35)