2-[(2,4-dimethylphenyl)methyl]-8-methoxy-3-(4-phenoxyphenyl)isoquinolin-1-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-8-methoxy-3-(4-phenoxyphenyl)isoquinolin-1-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-8-methoxy-3-(4-phenoxyphenyl)isoquinolin-1-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-8-methoxy-3-(4-phenoxyphenyl)-1-isoquinolinone IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-8-methoxy-3-(4-phenoxyphenyl)isoquinolin-1-one Traditional Name: 2-(2,4-dimethylbenzyl)-8-methoxy-3-(4-phenoxyphenyl)isocarbostyril Formula: C31H27NO3 MolecularWeight: 461.55098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=CC3=C(C2=O)C(=CC=C3)OC)C4=CC=C(C=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=CC3=C(C2=O)C(=CC=C3)OC)C4=CC=C(C=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C31H27NO3/c1-21-12-13-25(22(2)18-21)20-32-28(19-24-8-7-11-29(34-3)30(24)31(32)33)23-14-16-27(17-15-23)35-26-9-5-4-6-10-26/h4-19H,20H2,1-3H3