3-oxidanyl-2-[2-(4-oxidanyl-4-phenethyl-piperidin-1-yl)ethyl]-3H-benzo[de]isoquinolin-1-one

Systemtic Name: 3-oxidanyl-2-[2-(4-oxidanyl-4-phenethyl-piperidin-1-yl)ethyl]-3H-benzo[de]isoquinolin-1-one Openeye Name: 3-hydroxy-2-[2-(4-hydroxy-4-phenethyl-1-piperidyl)ethyl]-3H-benzo[de]isoquinolin-1-one CAS Name: 3-hydroxy-2-[2-(4-hydroxy-4-phenethyl-1-piperidinyl)ethyl]-3H-benzo[de]isoquinolin-1-one IUPAC Name: 3-hydroxy-2-[2-(4-hydroxy-4-phenethylpiperidin-1-yl)ethyl]-3H-benzo[de]isoquinolin-1-one Traditional Name: 3-hydroxy-2-[2-(4-hydroxy-4-phenethyl-piperidino)ethyl]-3H-benzo[de]isoquinolin-1-one Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CCC2=CC=CC=C2)O)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

Isomeric SMILES

C1CN(CCC1(CCC2=CC=CC=C2)O)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

InChI

InChI=1S/C27H30N2O3/c30-25-22-10-4-8-21-9-5-11-23(24(21)22)26(31)29(25)19-18-28-16-14-27(32,15-17-28)13-12-20-6-2-1-3-7-20/h1-11,25,30,32H,12-19H2