3-[2-[(3,5-dimethylphenyl)methoxy]ethyl]-2,6,7-trimethyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-[2-[(3,5-dimethylphenyl)methoxy]ethyl]-2,6,7-trimethyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-[2-[(3,5-dimethylphenyl)methoxy]ethyl]-2,6,7-trimethyl-4-phenyl-isoquinolin-1-one CAS Name: 3-[2-[(3,5-dimethylphenyl)methoxy]ethyl]-2,6,7-trimethyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-[2-[(3,5-dimethylphenyl)methoxy]ethyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one Traditional Name: 3-[2-(3,5-dimethylbenzyl)oxyethyl]-2,6,7-trimethyl-4-phenyl-isocarbostyril Formula: C29H31NO2 MolecularWeight: 425.56194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COCCC2=C(C3=CC(=C(C=C3C(=O)N2C)C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)COCCC2=C(C3=CC(=C(C=C3C(=O)N2C)C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C29H31NO2/c1-19-13-20(2)15-23(14-19)18-32-12-11-27-28(24-9-7-6-8-10-24)25-16-21(3)22(4)17-26(25)29(31)30(27)5/h6-10,13-17H,11-12,18H2,1-5H3