6-methoxy-2-methyl-3-[(2-oxidanyl-3-piperidin-1-yl-propoxy)methyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 6-methoxy-2-methyl-3-[(2-oxidanyl-3-piperidin-1-yl-propoxy)methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 3-[[2-hydroxy-3-(1-piperidyl)propoxy]methyl]-6-methoxy-2-methyl-4-phenyl-isoquinolin-1-one CAS Name: 3-[[2-hydroxy-3-(1-piperidinyl)propoxy]methyl]-6-methoxy-2-methyl-4-phenyl-1-isoquinolinone IUPAC Name: 3-[(2-hydroxy-3-piperidin-1-ylpropoxy)methyl]-6-methoxy-2-methyl-4-phenylisoquinolin-1-one Traditional Name: 3-[(2-hydroxy-3-piperidino-propoxy)methyl]-6-methoxy-2-methyl-4-phenyl-isocarbostyril Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)COCC(CN4CCCCC4)O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)COCC(CN4CCCCC4)O

InChI

InChI=1S/C26H32N2O4/c1-27-24(18-32-17-20(29)16-28-13-7-4-8-14-28)25(19-9-5-3-6-10-19)23-15-21(31-2)11-12-22(23)26(27)30/h3,5-6,9-12,15,20,29H,4,7-8,13-14,16-18H2,1-2H3