5-methyl-3-[2-[(3R)-3-oxidanylpiperidin-1-yl]ethyl]-2H-isoquinolin-1-one

Systemtic Name: 5-methyl-3-[2-[(3R)-3-oxidanylpiperidin-1-yl]ethyl]-2H-isoquinolin-1-one Openeye Name: 3-[2-[(3R)-3-hydroxy-1-piperidyl]ethyl]-5-methyl-2H-isoquinolin-1-one CAS Name: 3-[2-[(3R)-3-hydroxy-1-piperidinyl]ethyl]-5-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one Traditional Name: 3-[2-[(3R)-3-hydroxypiperidino]ethyl]-5-methyl-isocarbostyril Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)CCN3CCCC(C3)O

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)CCN3CCC[C@H](C3)O

InChI

InChI=1S/C17H22N2O2/c1-12-4-2-6-15-16(12)10-13(18-17(15)21)7-9-19-8-3-5-14(20)11-19/h2,4,6,10,14,20H,3,5,7-9,11H2,1H3,(H,18,21)/t14-/m1/s1