5-methyl-3-[2-[(3S)-3-oxidanylpyrrolidin-1-yl]ethyl]-2H-isoquinolin-1-one

Systemtic Name: 5-methyl-3-[2-[(3S)-3-oxidanylpyrrolidin-1-yl]ethyl]-2H-isoquinolin-1-one Openeye Name: 3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one CAS Name: 3-[2-[(3S)-3-hydroxy-1-pyrrolidinyl]ethyl]-5-methyl-2H-isoquinolin-1-one IUPAC Name: 3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one Traditional Name: 3-[2-[(3S)-3-hydroxypyrrolidino]ethyl]-5-methyl-isocarbostyril Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)CCN3CCC(C3)O

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)CCN3CC[C@@H](C3)O

InChI

InChI=1S/C16H20N2O2/c1-11-3-2-4-14-15(11)9-12(17-16(14)20)5-7-18-8-6-13(19)10-18/h2-4,9,13,19H,5-8,10H2,1H3,(H,17,20)/t13-/m0/s1