N-[(E)-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]methylideneamino]quinoline-2-carboxamide

Systemtic Name: N-[(E)-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]methylideneamino]quinoline-2-carboxamide Openeye Name: N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]methyleneamino]quinoline-2-carboxamide CAS Name: N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]methylideneamino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]quinoline-2-carboxamide Traditional Name: N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]methyleneamino]quinaldamide Formula: C21H15ClFN5O MolecularWeight: 407.828103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)C2=NC3=CC=CC=C3C=C2)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)C2=NC3=CC=CC=C3C=C2)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15ClFN5O/c1-13-17(20(22)28(27-13)16-9-7-15(23)8-10-16)12-24-26-21(29)19-11-6-14-4-2-3-5-18(14)25-19/h2-12H,1H3,(H,26,29)/b24-12+