4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-(2-pyridin-2-ylethynyl)quinoline-3-carbonitrile

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-(2-pyridin-2-ylethynyl)quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-[2-(2-pyridyl)ethynyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-7-[2-(2-pyridinyl)ethynyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-7-(2-pyridin-2-ylethynyl)quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-[2-(2-pyridyl)ethynyl]quinoline-3-carbonitrile Formula: C24H14Cl2N4O MolecularWeight: 445.30016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C#CC4=CC=CC=N4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C#CC4=CC=CC=N4)Cl)Cl

InChI

InChI=1S/C24H14Cl2N4O/c1-31-23-12-22(19(25)11-20(23)26)30-24-16(13-27)14-29-21-10-15(6-8-18(21)24)5-7-17-4-2-3-9-28-17/h2-4,6,8-12,14H,1H3,(H,29,30)