N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)cinchoninamide Formula: C22H23BrN6O MolecularWeight: 467.36162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4)C)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4)C)C)Br

InChI

InChI=1S/C22H23BrN6O/c1-14-21(23)15(2)29(27-14)10-6-9-24-22(30)18-11-20(16-12-25-28(3)13-16)26-19-8-5-4-7-17(18)19/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,24,30)