2-[(2,4-dimethylphenyl)methyl]-3-(3-methyl-4-phenoxy-phenyl)isoquinolin-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=CC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=CC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC5=CC=CC=C5)C)C

InChI

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