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

Systemtic Name: 2-(3-methoxyphenyl)-5-[1-(8-methoxy-1-propanoyl-3,4-dihydro-2H-quinolin-5-yl)ethyl-methyl-amino]-2-phenylsulfanyl-pentanenitrile Openeye Name: 2-(3-methoxyphenyl)-5-[1-(8-methoxy-1-propanoyl-3,4-dihydro-2H-quinolin-5-yl)ethyl-methyl-amino]-2-phenylsulfanyl-pentanenitrile CAS Name: 5-[1-[8-methoxy-1-(1-oxopropyl)-3,4-dihydro-2H-quinolin-5-yl]ethyl-methylamino]-2-(3-methoxyphenyl)-2-(phenylthio)pentanenitrile IUPAC Name: 2-(3-methoxyphenyl)-5-[1-(8-methoxy-1-propanoyl-3,4-dihydro-2H-quinolin-5-yl)ethyl-methylamino]-2-phenylsulfanylpentanenitrile Traditional Name: 2-(3-methoxyphenyl)-5-[1-(8-methoxy-1-propionyl-3,4-dihydro-2H-quinolin-5-yl)ethyl-methyl-amino]-2-(phenylthio)valeronitrile Formula: C34H41N3O3S MolecularWeight: 571.77264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCC2=C(C=CC(=C21)OC)C(C)N(C)CCCC(C#N)(C3=CC(=CC=C3)OC)SC4=CC=CC=C4

Isomeric SMILES

CCC(=O)N1CCCC2=C(C=CC(=C21)OC)C(C)N(C)CCCC(C#N)(C3=CC(=CC=C3)OC)SC4=CC=CC=C4

InChI

InChI=1S/C34H41N3O3S/c1-6-32(38)37-22-11-17-30-29(18-19-31(40-5)33(30)37)25(2)36(3)21-12-20-34(24-35,41-28-15-8-7-9-16-28)26-13-10-14-27(23-26)39-4/h7-10,13-16,18-19,23,25H,6,11-12,17,20-22H2,1-5H3