8-bromanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(2H-1,2,3-triazol-4-ylmethylamino)quinoline-3-carbonitrile

Systemtic Name: 8-bromanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(2H-1,2,3-triazol-4-ylmethylamino)quinoline-3-carbonitrile Openeye Name: 8-bromo-4-(3-chloro-4-fluoro-anilino)-6-(2H-triazol-4-ylmethylamino)quinoline-3-carbonitrile CAS Name: 8-bromo-4-(3-chloro-4-fluoroanilino)-6-(2H-triazol-4-ylmethylamino)-3-quinolinecarbonitrile IUPAC Name: 8-bromo-4-(3-chloro-4-fluoroanilino)-6-(2H-triazol-4-ylmethylamino)quinoline-3-carbonitrile Traditional Name: 8-bromo-4-(3-chloro-4-fluoro-anilino)-6-(2H-triazol-4-ylmethylamino)quinoline-3-carbonitrile Formula: C19H12BrClFN7 MolecularWeight: 472.700883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=NC3=C(C=C(C=C32)NCC4=NNN=C4)Br)C#N)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=NC3=C(C=C(C=C32)NCC4=NNN=C4)Br)C#N)Cl)F

InChI

InChI=1S/C19H12BrClFN7/c20-15-4-12(24-8-13-9-26-29-28-13)3-14-18(10(6-23)7-25-19(14)15)27-11-1-2-17(22)16(21)5-11/h1-5,7,9,24H,8H2,(H,25,27)(H,26,28,29)