2-(2-cyanoethyl)-5-phenyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide

Systemtic Name: 2-(2-cyanoethyl)-5-phenyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide Openeye Name: 2-(2-cyanoethyl)-5-phenyl-N-[(E)-4-pyridylmethyleneamino]pyrazole-3-carboxamide CAS Name: 2-(2-cyanoethyl)-5-phenyl-N-[(E)-pyridin-4-ylmethylideneamino]-3-pyrazolecarboxamide IUPAC Name: 2-(2-cyanoethyl)-5-phenyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide Traditional Name: 2-(2-cyanoethyl)-5-phenyl-N-[(E)-4-pyridylmethyleneamino]pyrazole-3-carboxamide Formula: C19H16N6O MolecularWeight: 344.36994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NN=CC3=CC=NC=C3)CCC#N

Isomeric SMILES

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

InChI

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