9-methoxy-8-methylsulfanyl-2-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-3H-pyrrolo[3,4-b]quinolin-1-one

Systemtic Name: 9-methoxy-8-methylsulfanyl-2-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-3H-pyrrolo[3,4-b]quinolin-1-one Openeye Name: 2-[2-(1-benzyl-4-piperidyl)ethyl]-9-methoxy-8-methylsulfanyl-3H-pyrrolo[3,4-b]quinolin-1-one CAS Name: 9-methoxy-8-(methylthio)-2-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-3H-pyrrolo[3,4-b]quinolin-1-one IUPAC Name: 2-[2-(1-benzylpiperidin-4-yl)ethyl]-9-methoxy-8-methylsulfanyl-3H-pyrrolo[3,4-b]quinolin-1-one Traditional Name: 2-[2-(1-benzyl-4-piperidyl)ethyl]-9-methoxy-8-(methylthio)-3H-pyrrolo[3,4-b]quinolin-1-one Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=NC3=C1C(=CC=C3)SC)CN(C2=O)CCC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=C2C(=NC3=C1C(=CC=C3)SC)CN(C2=O)CCC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N3O2S/c1-32-26-24-21(9-6-10-23(24)33-2)28-22-18-30(27(31)25(22)26)16-13-19-11-14-29(15-12-19)17-20-7-4-3-5-8-20/h3-10,19H,11-18H2,1-2H3