3-[2-(morpholin-4-ylmethyl)phenyl]-7-(3-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one

Systemtic Name: 3-[2-(morpholin-4-ylmethyl)phenyl]-7-(3-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one Openeye Name: 7-(3-hydroxy-1-piperidyl)-3-[2-(morpholinomethyl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(3-hydroxy-1-piperidinyl)-3-[2-(4-morpholinylmethyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(3-hydroxypiperidin-1-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(3-hydroxypiperidino)-3-[2-(morpholinomethyl)phenyl]isocarbostyril Formula: C25H29N3O3 MolecularWeight: 419.51606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4CN5CCOCC5)O

Isomeric SMILES

C1CC(CN(C1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4CN5CCOCC5)O

InChI

InChI=1S/C25H29N3O3/c29-21-5-3-9-28(17-21)20-8-7-18-14-24(26-25(30)23(18)15-20)22-6-2-1-4-19(22)16-27-10-12-31-13-11-27/h1-2,4,6-8,14-15,21,29H,3,5,9-13,16-17H2,(H,26,30)