4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-(3-oxidanylprop-1-ynyl)quinoline-3-carbonitrile

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-(3-oxidanylprop-1-ynyl)quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-(3-hydroxyprop-1-ynyl)quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-7-(3-hydroxyprop-1-ynyl)-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-7-(3-hydroxyprop-1-ynyl)quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-(3-hydroxyprop-1-ynyl)quinoline-3-carbonitrile Formula: C20H13Cl2N3O2 MolecularWeight: 398.24212

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#CCO)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H13Cl2N3O2/c1-27-19-9-18(15(21)8-16(19)22)25-20-13(10-23)11-24-17-7-12(3-2-6-26)4-5-14(17)20/h4-5,7-9,11,26H,6H2,1H3,(H,24,25)