5-[3-(methylamino)-2-oxidanyl-propoxy]-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: 5-[3-(methylamino)-2-oxidanyl-propoxy]-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 5-[2-hydroxy-3-(methylamino)propoxy]-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 5-[2-hydroxy-3-(methylamino)propoxy]-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 5-[2-hydroxy-3-(methylamino)propoxy]-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 5-[2-hydroxy-3-(methylamino)propoxy]-3,4-dihydroisocarbostyril Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(COC1=CC=CC2=C1CCNC2=O)O

Isomeric SMILES

CNCC(COC1=CC=CC2=C1CCNC2=O)O

InChI

InChI=1S/C13H18N2O3/c1-14-7-9(16)8-18-12-4-2-3-11-10(12)5-6-15-13(11)17/h2-4,9,14,16H,5-8H2,1H3,(H,15,17)