3-[(phenylmethyl)amino]-2H-isoquinolin-1-one

Systemtic Name: 3-[(phenylmethyl)amino]-2H-isoquinolin-1-one Openeye Name: 3-(benzylamino)-2H-isoquinolin-1-one CAS Name: 3-[(phenylmethyl)amino]-2H-isoquinolin-1-one IUPAC Name: 3-(benzylamino)-2H-isoquinolin-1-one Traditional Name: 3-(benzylamino)isocarbostyril Formula: C16H14N2O MolecularWeight: 250.29516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C16H14N2O/c19-16-14-9-5-4-8-13(14)10-15(18-16)17-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,17,18,19)