2-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide

Systemtic Name: 2-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]pyrazole-3-carboxamide CAS Name: 2-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide Traditional Name: 2-methyl-N-[[7-[2-(trifluoromethyl)phenyl]coumaran-2-yl]methyl]pyrazole-3-carboxamide Formula: C21H18F3N3O2 MolecularWeight: 401.38173

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NCC2CC3=CC=CC(=C3O2)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CN1C(=CC=N1)C(=O)NCC2CC3=CC=CC(=C3O2)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H18F3N3O2/c1-27-18(9-10-26-27)20(28)25-12-14-11-13-5-4-7-16(19(13)29-14)15-6-2-3-8-17(15)21(22,23)24/h2-10,14H,11-12H2,1H3,(H,25,28)