2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)-8-(trifluoromethyl)isoquinolin-1-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)-8-(trifluoromethyl)isoquinolin-1-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)-8-(trifluoromethyl)isoquinolin-1-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)-8-(trifluoromethyl)-1-isoquinolinone IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)-8-(trifluoromethyl)isoquinolin-1-one Traditional Name: 2-(2,4-dimethylbenzyl)-3-(4-phenoxyphenyl)-8-(trifluoromethyl)isocarbostyril Formula: C31H24F3NO2 MolecularWeight: 499.52297

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=CC3=C(C2=O)C(=CC=C3)C(F)(F)F)C4=CC=C(C=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=CC3=C(C2=O)C(=CC=C3)C(F)(F)F)C4=CC=C(C=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C31H24F3NO2/c1-20-11-12-24(21(2)17-20)19-35-28(18-23-7-6-10-27(31(32,33)34)29(23)30(35)36)22-13-15-26(16-14-22)37-25-8-4-3-5-9-25/h3-18H,19H2,1-2H3