2-[(2,4-dimethylphenyl)methyl]-6,8-dimethyl-3-(4-phenoxyphenyl)isoquinolin-1-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-6,8-dimethyl-3-(4-phenoxyphenyl)isoquinolin-1-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-6,8-dimethyl-3-(4-phenoxyphenyl)isoquinolin-1-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-6,8-dimethyl-3-(4-phenoxyphenyl)-1-isoquinolinone IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-6,8-dimethyl-3-(4-phenoxyphenyl)isoquinolin-1-one Traditional Name: 2-(2,4-dimethylbenzyl)-6,8-dimethyl-3-(4-phenoxyphenyl)isocarbostyril Formula: C32H29NO2 MolecularWeight: 459.57816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H29NO2/c1-21-10-11-26(23(3)16-21)20-33-30(19-27-18-22(2)17-24(4)31(27)32(33)34)25-12-14-29(15-13-25)35-28-8-6-5-7-9-28/h5-19H,20H2,1-4H3