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

Systemtic Name: 2-[1-[3-(3-methoxypyrazin-2-yl)oxy-2-oxidanyl-propyl]piperidin-4-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[1-[2-hydroxy-3-(3-methoxypyrazin-2-yl)oxy-propyl]-4-piperidyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[1-[2-hydroxy-3-[(3-methoxy-2-pyrazinyl)oxy]propyl]-4-piperidinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[1-[2-hydroxy-3-(3-methoxypyrazin-2-yl)oxypropyl]piperidin-4-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[1-[2-hydroxy-3-(3-methoxypyrazin-2-yl)oxy-propyl]-4-piperidyl]-3,4-dihydroisocarbostyril Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CN=C1OCC(CN2CCC(CC2)N3CCC4=CC=CC=C4C3=O)O

Isomeric SMILES

COC1=NC=CN=C1OCC(CN2CCC(CC2)N3CCC4=CC=CC=C4C3=O)O

InChI

InChI=1S/C22H28N4O4/c1-29-20-21(24-10-9-23-20)30-15-18(27)14-25-11-7-17(8-12-25)26-13-6-16-4-2-3-5-19(16)22(26)28/h2-5,9-10,17-18,27H,6-8,11-15H2,1H3