N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[(4-bromo-2-ethyl-3-pyrazolyl)methyl]-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[(4-bromo-2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)cinchoninamide Formula: C20H19BrN6O MolecularWeight: 439.30846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4)C

Isomeric SMILES

CCN1C(=C(C=N1)Br)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4)C

InChI

InChI=1S/C20H19BrN6O/c1-3-27-19(16(21)10-24-27)11-22-20(28)15-8-18(13-9-23-26(2)12-13)25-17-7-5-4-6-14(15)17/h4-10,12H,3,11H2,1-2H3,(H,22,28)