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

Systemtic Name: 2-[1-[3-(3-ethylsulfanylpyrazin-2-yl)oxy-2-oxidanyl-propyl]piperidin-4-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[1-[3-(3-ethylsulfanylpyrazin-2-yl)oxy-2-hydroxy-propyl]-4-piperidyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[1-[3-[[3-(ethylthio)-2-pyrazinyl]oxy]-2-hydroxypropyl]-4-piperidinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[1-[3-(3-ethylsulfanylpyrazin-2-yl)oxy-2-hydroxypropyl]piperidin-4-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[1-[3-[3-(ethylthio)pyrazin-2-yl]oxy-2-hydroxy-propyl]-4-piperidyl]-3,4-dihydroisocarbostyril Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=CN=C1OCC(CN2CCC(CC2)N3CCC4=CC=CC=C4C3=O)O

Isomeric SMILES

CCSC1=NC=CN=C1OCC(CN2CCC(CC2)N3CCC4=CC=CC=C4C3=O)O

InChI

InChI=1S/C23H30N4O3S/c1-2-31-22-21(24-10-11-25-22)30-16-19(28)15-26-12-8-18(9-13-26)27-14-7-17-5-3-4-6-20(17)23(27)29/h3-6,10-11,18-19,28H,2,7-9,12-16H2,1H3