6-bromanyl-2-phenyl-3-pyrazol-1-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-phenyl-3-pyrazol-1-yl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-phenyl-3-pyrazol-1-yl-quinoline-4-carboxylic acid CAS Name: 6-bromo-2-phenyl-3-(1-pyrazolyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-phenyl-3-pyrazol-1-ylquinoline-4-carboxylic acid Traditional Name: 6-bromo-2-phenyl-3-pyrazol-1-yl-cinchoninic acid Formula: C19H12BrN3O2 MolecularWeight: 394.22148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)N4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)Br)C(=O)O)N4C=CC=N4

InChI

InChI=1S/C19H12BrN3O2/c20-13-7-8-15-14(11-13)16(19(24)25)18(23-10-4-9-21-23)17(22-15)12-5-2-1-3-6-12/h1-11H,(H,24,25)