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

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-6-methoxy-7-(2-phenylethynyl)quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-6-methoxy-7-(2-phenylethynyl)quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-(2-phenylethynyl)-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-(2-phenylethynyl)quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-6-methoxy-7-(2-phenylethynyl)quinoline-3-carbonitrile Formula: C26H17Cl2N3O2 MolecularWeight: 474.33808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H17Cl2N3O2/c1-32-24-11-19-22(10-17(24)9-8-16-6-4-3-5-7-16)30-15-18(14-29)26(19)31-23-13-25(33-2)21(28)12-20(23)27/h3-7,10-13,15H,1-2H3,(H,30,31)