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

Systemtic Name: N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]quinoline-2-carboxamide Openeye Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]quinoline-2-carboxamide CAS Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]quinoline-2-carboxamide Traditional Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]quinaldamide Formula: C21H16ClN5O MolecularWeight: 389.83764

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN5O/c1-14-17(20(22)27(26-14)16-8-3-2-4-9-16)13-23-25-21(28)19-12-11-15-7-5-6-10-18(15)24-19/h2-13H,1H3,(H,25,28)/b23-13+