6-bromanyl-2-(3,4-dimethylphenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(3,4-dimethylphenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide Openeye Name: 6-bromo-2-(3,4-dimethylphenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(3,4-dimethylphenyl)-N-(1H-1,2,4-triazol-5-yl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(3,4-dimethylphenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide Traditional Name: 6-bromo-2-(3,4-dimethylphenyl)-N-(1H-1,2,4-triazol-5-yl)cinchoninamide Formula: C20H16BrN5O MolecularWeight: 422.27794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=NC=NN4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=NC=NN4)C

InChI

InChI=1S/C20H16BrN5O/c1-11-3-4-13(7-12(11)2)18-9-16(19(27)25-20-22-10-23-26-20)15-8-14(21)5-6-17(15)24-18/h3-10H,1-2H3,(H2,22,23,25,26,27)