2-methyl-3-[2-(3-methyl-1-oxidanylidene-4H-isochromen-3-yl)ethyl]isoquinolin-1-one

Systemtic Name: 2-methyl-3-[2-(3-methyl-1-oxidanylidene-4H-isochromen-3-yl)ethyl]isoquinolin-1-one Openeye Name: 2-methyl-3-[2-(3-methyl-1-oxo-isochroman-3-yl)ethyl]isoquinolin-1-one CAS Name: 2-methyl-3-[2-(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)ethyl]-1-isoquinolinone IUPAC Name: 2-methyl-3-[2-(3-methyl-1-oxo-4H-isochromen-3-yl)ethyl]isoquinolin-1-one Traditional Name: 3-[2-(1-keto-3-methyl-isochroman-3-yl)ethyl]-2-methyl-isocarbostyril Formula: C22H21NO3 MolecularWeight: 347.40704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)CCC3=CC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)CCC3=CC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C22H21NO3/c1-22(14-16-8-4-6-10-19(16)21(25)26-22)12-11-17-13-15-7-3-5-9-18(15)20(24)23(17)2/h3-10,13H,11-12,14H2,1-2H3