N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(1-ethylpyrazol-4-yl)cinchoninamide Formula: C25H21BrN6O2 MolecularWeight: 517.37724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CN(N=C4)COC5=CC=C(C=C5)Br

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CN(N=C4)COC5=CC=C(C=C5)Br

InChI

InChI=1S/C25H21BrN6O2/c1-2-31-14-17(12-27-31)24-11-22(21-5-3-4-6-23(21)30-24)25(33)29-19-13-28-32(15-19)16-34-20-9-7-18(26)8-10-20/h3-15H,2,16H2,1H3,(H,29,33)