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

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)isoquinolin-1-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)isoquinolin-1-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)-1-isoquinolinone IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-3-(4-phenoxyphenyl)isoquinolin-1-one Traditional Name: 2-(2,4-dimethylbenzyl)-3-(4-phenoxyphenyl)isocarbostyril Formula: C30H25NO2 MolecularWeight: 431.525

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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

Isomeric SMILES

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

InChI

InChI=1S/C30H25NO2/c1-21-12-13-25(22(2)18-21)20-31-29(19-24-8-6-7-11-28(24)30(31)32)23-14-16-27(17-15-23)33-26-9-4-3-5-10-26/h3-19H,20H2,1-2H3