3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-[(2,4-dimethylphenyl)methyl]isoquinolin-1-one

Systemtic Name: 3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-[(2,4-dimethylphenyl)methyl]isoquinolin-1-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-hydroxy-3,5-dimethyl-phenyl)isoquinolin-1-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-hydroxy-3,5-dimethylphenyl)-1-isoquinolinone IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-hydroxy-3,5-dimethylphenyl)isoquinolin-1-one Traditional Name: 2-(2,4-dimethylbenzyl)-3-(4-hydroxy-3,5-dimethyl-phenyl)isocarbostyril Formula: C26H25NO2 MolecularWeight: 383.4822

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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)C)O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO2/c1-16-9-10-21(17(2)11-16)15-27-24(22-12-18(3)25(28)19(4)13-22)14-20-7-5-6-8-23(20)26(27)29/h5-14,28H,15H2,1-4H3