2-[(2,4-dimethylphenyl)methyl]-5-methyl-3-(4-phenoxyphenyl)isoquinolin-1-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-5-methyl-3-(4-phenoxyphenyl)isoquinolin-1-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-5-methyl-3-(4-phenoxyphenyl)isoquinolin-1-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-5-methyl-3-(4-phenoxyphenyl)-1-isoquinolinone IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-5-methyl-3-(4-phenoxyphenyl)isoquinolin-1-one Traditional Name: 2-(2,4-dimethylbenzyl)-5-methyl-3-(4-phenoxyphenyl)isocarbostyril Formula: C31H27NO2 MolecularWeight: 445.55158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=CC3=C(C2=O)C=CC=C3C)C4=CC=C(C=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=CC3=C(C2=O)C=CC=C3C)C4=CC=C(C=C4)OC5=CC=CC=C5)C

InChI

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