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

Systemtic Name: 2-[1-[3-(3-chloranylpyrazin-2-yl)oxy-2-oxidanyl-propyl]piperidin-4-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[1-[3-(3-chloropyrazin-2-yl)oxy-2-hydroxy-propyl]-4-piperidyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[1-[3-[(3-chloro-2-pyrazinyl)oxy]-2-hydroxypropyl]-4-piperidinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[1-[3-(3-chloropyrazin-2-yl)oxy-2-hydroxypropyl]piperidin-4-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[1-[3-(3-chloropyrazin-2-yl)oxy-2-hydroxy-propyl]-4-piperidyl]-3,4-dihydroisocarbostyril Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3/c22-19-20(24-9-8-23-19)29-14-17(27)13-25-10-6-16(7-11-25)26-12-5-15-3-1-2-4-18(15)21(26)28/h1-4,8-9,16-17,27H,5-7,10-14H2