6,8-dimethyl-3-(4-phenoxyphenyl)-2-(phenylmethyl)isoquinolin-1-one

Systemtic Name: 6,8-dimethyl-3-(4-phenoxyphenyl)-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 2-benzyl-6,8-dimethyl-3-(4-phenoxyphenyl)isoquinolin-1-one CAS Name: 6,8-dimethyl-3-(4-phenoxyphenyl)-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 2-benzyl-6,8-dimethyl-3-(4-phenoxyphenyl)isoquinolin-1-one Traditional Name: 2-benzyl-6,8-dimethyl-3-(4-phenoxyphenyl)isocarbostyril Formula: C30H25NO2 MolecularWeight: 431.525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(N(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(N(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)OC5=CC=CC=C5)C

InChI

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