3-oxidanyl-2-[2-[3-(phenylmethyl)piperidin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one

Systemtic Name: 3-oxidanyl-2-[2-[3-(phenylmethyl)piperidin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one Openeye Name: 2-[2-(3-benzyl-1-piperidyl)ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one CAS Name: 3-hydroxy-2-[2-[3-(phenylmethyl)-1-piperidinyl]ethyl]-3H-benzo[de]isoquinolin-1-one IUPAC Name: 2-[2-(3-benzylpiperidin-1-yl)ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one Traditional Name: 2-[2-(3-benzylpiperidino)ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one Formula: C26H28N2O2 MolecularWeight: 400.51272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCN2C(C3=CC=CC4=C3C(=CC=C4)C2=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)CCN2C(C3=CC=CC4=C3C(=CC=C4)C2=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N2O2/c29-25-22-12-4-10-21-11-5-13-23(24(21)22)26(30)28(25)16-15-27-14-6-9-20(18-27)17-19-7-2-1-3-8-19/h1-5,7-8,10-13,20,25,29H,6,9,14-18H2