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

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-(2-phenylethynyl)quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-(2-phenylethynyl)quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-7-(2-phenylethynyl)-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-7-(2-phenylethynyl)quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-(2-phenylethynyl)quinoline-3-carbonitrile Formula: C25H15Cl2N3O MolecularWeight: 444.3121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H15Cl2N3O/c1-31-24-13-23(20(26)12-21(24)27)30-25-18(14-28)15-29-22-11-17(9-10-19(22)25)8-7-16-5-3-2-4-6-16/h2-6,9-13,15H,1H3,(H,29,30)