4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-6-methoxy-7-(2-pyridin-3-ylethynyl)quinoline-3-carbonitrile

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-6-methoxy-7-(2-pyridin-3-ylethynyl)quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-6-methoxy-7-[2-(3-pyridyl)ethynyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[2-(3-pyridinyl)ethynyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-(2-pyridin-3-ylethynyl)quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-6-methoxy-7-[2-(3-pyridyl)ethynyl]quinoline-3-carbonitrile Formula: C25H16Cl2N4O2 MolecularWeight: 475.32614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1C#CC3=CN=CC=C3)C#N)NC4=CC(=C(C=C4Cl)Cl)OC

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1C#CC3=CN=CC=C3)C#N)NC4=CC(=C(C=C4Cl)Cl)OC

InChI

InChI=1S/C25H16Cl2N4O2/c1-32-23-9-18-21(8-16(23)6-5-15-4-3-7-29-13-15)30-14-17(12-28)25(18)31-22-11-24(33-2)20(27)10-19(22)26/h3-4,7-11,13-14H,1-2H3,(H,30,31)