3-azanyl-2-(2-ethyl-6-methyl-phenyl)isoquinolin-1-one

Systemtic Name: 3-azanyl-2-(2-ethyl-6-methyl-phenyl)isoquinolin-1-one Openeye Name: 3-amino-2-(2-ethyl-6-methyl-phenyl)isoquinolin-1-one CAS Name: 3-amino-2-(2-ethyl-6-methylphenyl)-1-isoquinolinone IUPAC Name: 3-amino-2-(2-ethyl-6-methylphenyl)isoquinolin-1-one Traditional Name: 3-amino-2-(2-ethyl-6-methyl-phenyl)isocarbostyril Formula: C18H18N2O MolecularWeight: 278.34832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=CC3=CC=CC=C3C2=O)N)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=CC3=CC=CC=C3C2=O)N)C

InChI

InChI=1S/C18H18N2O/c1-3-13-9-6-7-12(2)17(13)20-16(19)11-14-8-4-5-10-15(14)18(20)21/h4-11H,3,19H2,1-2H3