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

Systemtic Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-propyl-pyrazole-3-carboxamide Openeye Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-propyl-pyrazole-3-carboxamide CAS Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-propyl-3-pyrazolecarboxamide IUPAC Name: 5-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-N-propylpyrazole-3-carboxamide Traditional Name: 5-butyl-1-[4-(2-cyanophenyl)benzyl]-N-propyl-pyrazole-3-carboxamide Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O/c1-3-5-9-22-16-24(25(30)27-15-4-2)28-29(22)18-19-11-13-20(14-12-19)23-10-7-6-8-21(23)17-26/h6-8,10-14,16H,3-5,9,15,18H2,1-2H3,(H,27,30)