4-(3-methylbutanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-(3-methylbutanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-(3-methylbutanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide CAS Name: 4-(3-methyl-1-oxobutyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(3-methylbutanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-isovaleryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide Formula: C18H19F3N2O2 MolecularWeight: 352.35087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CNC(=C1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)C1=CNC(=C1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H19F3N2O2/c1-11(2)6-16(24)13-8-15(22-10-13)17(25)23-9-12-4-3-5-14(7-12)18(19,20)21/h3-5,7-8,10-11,22H,6,9H2,1-2H3,(H,23,25)