6-[4-(2-azanylpropan-2-yl)phenyl]-2H-isoquinolin-1-one

Systemtic Name: 6-[4-(2-azanylpropan-2-yl)phenyl]-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 6-[4-(2-aminopropan-2-yl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 6-[4-(2-aminopropan-2-yl)phenyl]-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]isocarbostyril Formula: C18H18N2O MolecularWeight: 278.34832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)NC=C3)N

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)NC=C3)N

InChI

InChI=1S/C18H18N2O/c1-18(2,19)15-6-3-12(4-7-15)13-5-8-16-14(11-13)9-10-20-17(16)21/h3-11H,19H2,1-2H3,(H,20,21)