N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-3-pyrazolyl]-2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[1-(2-chloro-4-fluoro-benzyl)pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)cinchoninamide Formula: C25H20ClFN6O MolecularWeight: 474.917303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN(C=C4)CC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN(C=C4)CC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C25H20ClFN6O/c1-2-32-15-17(13-28-32)23-12-20(19-5-3-4-6-22(19)29-23)25(34)30-24-9-10-33(31-24)14-16-7-8-18(27)11-21(16)26/h3-13,15H,2,14H2,1H3,(H,30,31,34)