7-(3-oxidanylpropylamino)-3-phenyl-2H-isoquinolin-1-one

Systemtic Name: 7-(3-oxidanylpropylamino)-3-phenyl-2H-isoquinolin-1-one Openeye Name: 7-(3-hydroxypropylamino)-3-phenyl-2H-isoquinolin-1-one CAS Name: 7-(3-hydroxypropylamino)-3-phenyl-2H-isoquinolin-1-one IUPAC Name: 7-(3-hydroxypropylamino)-3-phenyl-2H-isoquinolin-1-one Traditional Name: 7-(3-hydroxypropylamino)-3-phenyl-isocarbostyril Formula: C18H18N2O2 MolecularWeight: 294.34772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)NCCCO)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)NCCCO)C(=O)N2

InChI

InChI=1S/C18H18N2O2/c21-10-4-9-19-15-8-7-14-11-17(13-5-2-1-3-6-13)20-18(22)16(14)12-15/h1-3,5-8,11-12,19,21H,4,9-10H2,(H,20,22)