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

Systemtic Name: 5-[1-(1-ethanoyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methyl-amino]-2-(3-methoxyphenyl)-2-phenylsulfanyl-pentanenitrile Openeye Name: 5-[1-(1-acetyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methyl-amino]-2-(3-methoxyphenyl)-2-phenylsulfanyl-pentanenitrile CAS Name: 5-[1-(1-acetyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methylamino]-2-(3-methoxyphenyl)-2-(phenylthio)pentanenitrile IUPAC Name: 5-[1-(1-acetyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methylamino]-2-(3-methoxyphenyl)-2-phenylsulfanylpentanenitrile Traditional Name: 5-[1-(1-acetyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methyl-amino]-2-(3-methoxyphenyl)-2-(phenylthio)valeronitrile Formula: C33H39N3O3S MolecularWeight: 557.74606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2CCCN(C2=C(C=C1)OC)C(=O)C)N(C)CCCC(C#N)(C3=CC(=CC=C3)OC)SC4=CC=CC=C4

Isomeric SMILES

CC(C1=C2CCCN(C2=C(C=C1)OC)C(=O)C)N(C)CCCC(C#N)(C3=CC(=CC=C3)OC)SC4=CC=CC=C4

InChI

InChI=1S/C33H39N3O3S/c1-24(29-17-18-31(39-5)32-30(29)16-10-21-36(32)25(2)37)35(3)20-11-19-33(23-34,40-28-14-7-6-8-15-28)26-12-9-13-27(22-26)38-4/h6-9,12-15,17-18,22,24H,10-11,16,19-21H2,1-5H3