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

Systemtic Name: 4-(2-methylphenyl)carbonyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-(2-methylbenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide CAS Name: 4-[(2-methylphenyl)-oxomethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(2-methylbenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-o-toluoyl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide Formula: C21H17F3N2O2 MolecularWeight: 386.36709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H17F3N2O2/c1-13-5-2-3-8-17(13)19(27)15-10-18(25-12-15)20(28)26-11-14-6-4-7-16(9-14)21(22,23)24/h2-10,12,25H,11H2,1H3,(H,26,28)