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

Systemtic Name: N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[(4-bromo-2-ethyl-3-pyrazolyl)methyl]-2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[(4-bromo-2-ethylpyrazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-2-(1-ethylpyrazol-4-yl)cinchoninamide Formula: C21H21BrN6O MolecularWeight: 453.33504

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=C(C=NN4CC)Br

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=C(C=NN4CC)Br

InChI

InChI=1S/C21H21BrN6O/c1-3-27-13-14(10-24-27)19-9-16(15-7-5-6-8-18(15)26-19)21(29)23-12-20-17(22)11-25-28(20)4-2/h5-11,13H,3-4,12H2,1-2H3,(H,23,29)