4-[[2,3-bis(chloranyl)-5-methoxy-phenyl]amino]-6-(2-pyridin-3-ylethynyl)quinoline-3-carbonitrile

Systemtic Name: 4-[[2,3-bis(chloranyl)-5-methoxy-phenyl]amino]-6-(2-pyridin-3-ylethynyl)quinoline-3-carbonitrile Openeye Name: 4-(2,3-dichloro-5-methoxy-anilino)-6-[2-(3-pyridyl)ethynyl]quinoline-3-carbonitrile CAS Name: 4-(2,3-dichloro-5-methoxyanilino)-6-[2-(3-pyridinyl)ethynyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,3-dichloro-5-methoxyanilino)-6-(2-pyridin-3-ylethynyl)quinoline-3-carbonitrile Traditional Name: 4-(2,3-dichloro-5-methoxy-anilino)-6-[2-(3-pyridyl)ethynyl]quinoline-3-carbonitrile Formula: C24H14Cl2N4O MolecularWeight: 445.30016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)NC2=C3C=C(C=CC3=NC=C2C#N)C#CC4=CN=CC=C4)Cl)Cl

Isomeric SMILES

COC1=CC(=C(C(=C1)NC2=C3C=C(C=CC3=NC=C2C#N)C#CC4=CN=CC=C4)Cl)Cl

InChI

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