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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC(C#N)(C1=CC(=CC=C1)OC)SC2=CC=CC=C2)C(C)C3=C4CCCN(C4=C(C=C3)OC)C(=O)C

Isomeric SMILES

CCN(CCCC(C#N)(C1=CC(=CC=C1)OC)SC2=CC=CC=C2)C(C)C3=C4CCCN(C4=C(C=C3)OC)C(=O)C

InChI

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