N-tert-butyl-2-[3-(trifluoromethyl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-tert-butyl-2-[3-(trifluoromethyl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-tert-butyl-2-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-tert-butyl-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-tert-butyl-2-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-tert-butyl-2-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H23F3N2O2 MolecularWeight: 404.42543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H23F3N2O2/c1-21(2,3)26-19(28)18-12-14-7-4-5-8-16(14)13-27(18)20(29)15-9-6-10-17(11-15)22(23,24)25/h4-11,18H,12-13H2,1-3H3,(H,26,28)