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

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-hydroxyethyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-hydroxyethyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-hydroxyethyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-hydroxyethyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-N-(2-hydroxyethyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C21H18F6N2O3 MolecularWeight: 460.369639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCO)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCO)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H18F6N2O3/c1-29-17(11-8-12(20(22,23)24)10-13(9-11)21(25,26)27)16(18(31)28-6-7-30)14-4-2-3-5-15(14)19(29)32/h2-5,8-10,16-17,30H,6-7H2,1H3,(H,28,31)