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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)O)CCCCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)O)CCCCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

InChI

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