1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidino]-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C24H26N2O3S MolecularWeight: 422.53984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCCC3C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCCC3C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C24H26N2O3S/c1-16-13-23(25-20-8-5-4-7-18(16)20)30-15-24(27)26-12-6-9-21(26)19-14-17(28-2)10-11-22(19)29-3/h4-5,7-8,10-11,13-14,21H,6,9,12,15H2,1-3H3