2-(1,3-benzodioxol-5-yl)-5-[2-(1-ethanoyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methyl-amino]-2-phenylsulfanyl-pentanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[2-(1-ethanoyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methyl-amino]-2-phenylsulfanyl-pentanenitrile Openeye Name: 5-[2-(1-acetyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methyl-amino]-2-(1,3-benzodioxol-5-yl)-2-phenylsulfanyl-pentanenitrile CAS Name: 5-[2-(1-acetyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methylamino]-2-(1,3-benzodioxol-5-yl)-2-(phenylthio)pentanenitrile IUPAC Name: 5-[2-(1-acetyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methylamino]-2-(1,3-benzodioxol-5-yl)-2-phenylsulfanylpentanenitrile Traditional Name: 5-[2-(1-acetyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methyl-amino]-2-(1,3-benzodioxol-5-yl)-2-(phenylthio)valeronitrile Formula: C33H37N3O4S MolecularWeight: 571.72958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC2=C(C=CC(=C21)OC)CCN(C)CCCC(C#N)(C3=CC4=C(C=C3)OCO4)SC5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCCC2=C(C=CC(=C21)OC)CCN(C)CCCC(C#N)(C3=CC4=C(C=C3)OCO4)SC5=CC=CC=C5

InChI

InChI=1S/C33H37N3O4S/c1-24(37)36-19-7-11-28-25(12-14-30(38-3)32(28)36)16-20-35(2)18-8-17-33(22-34,41-27-9-5-4-6-10-27)26-13-15-29-31(21-26)40-23-39-29/h4-6,9-10,12-15,21H,7-8,11,16-20,23H2,1-3H3