N-[[2-(2-chloranylprop-2-enoxy)-7-methylsulfanyl-quinolin-3-yl]methyl]-2-morpholin-4-yl-2-pyridin-4-yl-ethanamine

Systemtic Name: N-[[2-(2-chloranylprop-2-enoxy)-7-methylsulfanyl-quinolin-3-yl]methyl]-2-morpholin-4-yl-2-pyridin-4-yl-ethanamine Openeye Name: N-[[2-(2-chloroallyloxy)-7-methylsulfanyl-3-quinolyl]methyl]-2-morpholino-2-(4-pyridyl)ethanamine CAS Name: N-[[2-(2-chloroprop-2-enoxy)-7-(methylthio)-3-quinolinyl]methyl]-2-(4-morpholinyl)-2-pyridin-4-ylethanamine IUPAC Name: N-[[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]methyl]-2-morpholin-4-yl-2-pyridin-4-ylethanamine Traditional Name: [2-(2-chloroallyloxy)-7-(methylthio)-3-quinolyl]methyl-[2-morpholino-2-(4-pyridyl)ethyl]amine Formula: C25H29ClN4O2S MolecularWeight: 485.04136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CNCC(C3=CC=NC=C3)N4CCOCC4)OCC(=C)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CNCC(C3=CC=NC=C3)N4CCOCC4)OCC(=C)Cl

InChI

InChI=1S/C25H29ClN4O2S/c1-18(26)17-32-25-21(13-20-3-4-22(33-2)14-23(20)29-25)15-28-16-24(19-5-7-27-8-6-19)30-9-11-31-12-10-30/h3-8,13-14,24,28H,1,9-12,15-17H2,2H3