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

Systemtic Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylaminomethyl)-4-phenyl-isoquinolin-1-one Openeye Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylaminomethyl)-4-phenyl-isoquinolin-1-one CAS Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylaminomethyl)-4-phenyl-1-isoquinolinone IUPAC Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylaminomethyl)-4-phenylisoquinolin-1-one Traditional Name: 5-[3,5-bis(trifluoromethyl)benzyl]-2-methyl-3-(methylaminomethyl)-4-phenyl-isocarbostyril Formula: C27H22F6N2O MolecularWeight: 504.466799

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C2=C(C=CC=C2CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)N1C)C4=CC=CC=C4

Isomeric SMILES

CNCC1=C(C2=C(C=CC=C2CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)N1C)C4=CC=CC=C4

InChI

InChI=1S/C27H22F6N2O/c1-34-15-22-24(17-7-4-3-5-8-17)23-18(9-6-10-21(23)25(36)35(22)2)11-16-12-19(26(28,29)30)14-20(13-16)27(31,32)33/h3-10,12-14,34H,11,15H2,1-2H3