3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-4-phenyl-isoquinolin-1-one CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-methyl-4-phenylisoquinolin-1-one Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-2-methyl-4-phenyl-isocarbostyril Formula: C26H19F6NO2 MolecularWeight: 491.424979

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)COCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)COCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C26H19F6NO2/c1-33-22(15-35-14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)23(17-7-3-2-4-8-17)20-9-5-6-10-21(20)24(33)34/h2-13H,14-15H2,1H3