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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[1-(1-ethanoyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methyl-amino]-2-phenylsulfanyl-pentanenitrile Openeye Name: 5-[1-(1-acetyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methyl-amino]-2-(3,4-dimethoxyphenyl)-2-phenylsulfanyl-pentanenitrile CAS Name: 5-[1-(1-acetyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methylamino]-2-(3,4-dimethoxyphenyl)-2-(phenylthio)pentanenitrile IUPAC Name: 5-[1-(1-acetyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methylamino]-2-(3,4-dimethoxyphenyl)-2-phenylsulfanylpentanenitrile Traditional Name: 5-[1-(1-acetyl-8-methoxy-3,4-dihydro-2H-quinolin-5-yl)ethyl-methyl-amino]-2-(3,4-dimethoxyphenyl)-2-(phenylthio)valeronitrile Formula: C34H41N3O4S MolecularWeight: 587.77204

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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(=C(C=C3)OC)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(=C(C=C3)OC)OC)SC4=CC=CC=C4

InChI

InChI=1S/C34H41N3O4S/c1-24(28-16-18-31(40-5)33-29(28)14-10-21-37(33)25(2)38)36(3)20-11-19-34(23-35,42-27-12-8-7-9-13-27)26-15-17-30(39-4)32(22-26)41-6/h7-9,12-13,15-18,22,24H,10-11,14,19-21H2,1-6H3