2-[1-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]piperidin-4-yl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[1-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]piperidin-4-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[1-[3-(2-chlorophenoxy)-2-hydroxy-propyl]-4-piperidyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[1-[3-(2-chlorophenoxy)-2-hydroxypropyl]-4-piperidinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[1-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[1-[3-(2-chlorophenoxy)-2-hydroxy-propyl]-4-piperidyl]-3,4-dihydroisocarbostyril Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC3=CC=CC=C3C2=O)CC(COC4=CC=CC=C4Cl)O

Isomeric SMILES

C1CN(CCC1N2CCC3=CC=CC=C3C2=O)CC(COC4=CC=CC=C4Cl)O

InChI

InChI=1S/C23H27ClN2O3/c24-21-7-3-4-8-22(21)29-16-19(27)15-25-12-10-18(11-13-25)26-14-9-17-5-1-2-6-20(17)23(26)28/h1-8,18-19,27H,9-16H2