5-oxidanyl-3-[[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methyl]-2-phenyl-isoquinolin-1-one

Systemtic Name: 5-oxidanyl-3-[[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methyl]-2-phenyl-isoquinolin-1-one Openeye Name: 3-[(4-benzyl-4-hydroxy-1-piperidyl)methyl]-5-hydroxy-2-phenyl-isoquinolin-1-one CAS Name: 5-hydroxy-3-[[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]methyl]-2-phenyl-1-isoquinolinone IUPAC Name: 3-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-5-hydroxy-2-phenylisoquinolin-1-one Traditional Name: 3-[(4-benzyl-4-hydroxy-piperidino)methyl]-5-hydroxy-2-phenyl-isocarbostyril Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)O)CC3=CC4=C(C=CC=C4O)C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)O)CC3=CC4=C(C=CC=C4O)C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C28H28N2O3/c31-26-13-7-12-24-25(26)18-23(30(27(24)32)22-10-5-2-6-11-22)20-29-16-14-28(33,15-17-29)19-21-8-3-1-4-9-21/h1-13,18,31,33H,14-17,19-20H2