N-[(E)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide

Systemtic Name: N-[(E)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide Openeye Name: N-[(E)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]pyridine-4-carboxamide CAS Name: N-[(E)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-4-pyridinecarboxamide IUPAC Name: N-[(E)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide Traditional Name: N-[(E)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]isonicotinamide Formula: C19H16N6O MolecularWeight: 344.36994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=NC=C3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC=NC=C3)CCC#N

InChI

InChI=1S/C19H16N6O/c20-9-4-12-25-14-17(18(24-25)15-5-2-1-3-6-15)13-22-23-19(26)16-7-10-21-11-8-16/h1-3,5-8,10-11,13-14H,4,12H2,(H,23,26)/b22-13+