2-[(2,4-dimethylphenyl)methyl]-6-methyl-3-(4-phenoxyphenyl)isoquinolin-1-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-3-(4-phenoxyphenyl)isoquinolin-1-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-3-(4-phenoxyphenyl)isoquinolin-1-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-3-(4-phenoxyphenyl)-1-isoquinolinone IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-3-(4-phenoxyphenyl)isoquinolin-1-one Traditional Name: 2-(2,4-dimethylbenzyl)-6-methyl-3-(4-phenoxyphenyl)isocarbostyril Formula: C31H27NO2 MolecularWeight: 445.55158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H27NO2/c1-21-9-11-25(23(3)17-21)20-32-30(19-26-18-22(2)10-16-29(26)31(32)33)24-12-14-28(15-13-24)34-27-7-5-4-6-8-27/h4-19H,20H2,1-3H3