7-chloranyl-3-ethyl-4-[(4-oxidanylpiperidin-1-yl)methyl]-2H-isoquinolin-1-one

Systemtic Name: 7-chloranyl-3-ethyl-4-[(4-oxidanylpiperidin-1-yl)methyl]-2H-isoquinolin-1-one Openeye Name: 7-chloro-3-ethyl-4-[(4-hydroxy-1-piperidyl)methyl]-2H-isoquinolin-1-one CAS Name: 7-chloro-3-ethyl-4-[(4-hydroxy-1-piperidinyl)methyl]-2H-isoquinolin-1-one IUPAC Name: 7-chloro-3-ethyl-4-[(4-hydroxypiperidin-1-yl)methyl]-2H-isoquinolin-1-one Traditional Name: 7-chloro-3-ethyl-4-[(4-hydroxypiperidino)methyl]isocarbostyril Formula: C17H21ClN2O2 MolecularWeight: 320.81384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C(C=C2)Cl)C(=O)N1)CN3CCC(CC3)O

Isomeric SMILES

CCC1=C(C2=C(C=C(C=C2)Cl)C(=O)N1)CN3CCC(CC3)O

InChI

InChI=1S/C17H21ClN2O2/c1-2-16-15(10-20-7-5-12(21)6-8-20)13-4-3-11(18)9-14(13)17(22)19-16/h3-4,9,12,21H,2,5-8,10H2,1H3,(H,19,22)