3-[3,5-bis(trifluoromethyl)phenyl]-N-cyclopropyl-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-cyclopropyl-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-cyclopropyl-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-cyclopropyl-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-cyclopropyl-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-cyclopropyl-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C22H18F6N2O2 MolecularWeight: 456.380939

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3CC3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3CC3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H18F6N2O2/c1-30-18(11-8-12(21(23,24)25)10-13(9-11)22(26,27)28)17(19(31)29-14-6-7-14)15-4-2-3-5-16(15)20(30)32/h2-5,8-10,14,17-18H,6-7H2,1H3,(H,29,31)