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

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-3-(3-methyl-4-oxidanyl-phenyl)isoquinolin-1-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-hydroxy-3-methyl-phenyl)isoquinolin-1-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-hydroxy-3-methylphenyl)-1-isoquinolinone IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-hydroxy-3-methylphenyl)isoquinolin-1-one Traditional Name: 2-(2,4-dimethylbenzyl)-3-(4-hydroxy-3-methyl-phenyl)isocarbostyril Formula: C25H23NO2 MolecularWeight: 369.45562

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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)O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO2/c1-16-8-9-21(17(2)12-16)15-26-23(20-10-11-24(27)18(3)13-20)14-19-6-4-5-7-22(19)25(26)28/h4-14,27H,15H2,1-3H3