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

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-oxidanyl-phenyl)isoquinolin-1-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-hydroxy-3-methoxy-phenyl)isoquinolin-1-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-hydroxy-3-methoxyphenyl)-1-isoquinolinone IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-hydroxy-3-methoxyphenyl)isoquinolin-1-one Traditional Name: 2-(2,4-dimethylbenzyl)-3-(4-hydroxy-3-methoxy-phenyl)isocarbostyril Formula: C25H23NO3 MolecularWeight: 385.45502

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO3/c1-16-8-9-20(17(2)12-16)15-26-22(19-10-11-23(27)24(14-19)29-3)13-18-6-4-5-7-21(18)25(26)28/h4-14,27H,15H2,1-3H3