N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-2-fluoranyl-benzamide

Systemtic Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-2-fluoranyl-benzamide Openeye Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-2-fluoro-benzamide CAS Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-2-fluorobenzamide IUPAC Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-2-fluorobenzamide Traditional Name: N-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-2-fluoro-benzamide Formula: C20H16FN5O MolecularWeight: 361.372343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=CC=C3F)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N\NC(=O)C3=CC=CC=C3F)CCC#N

InChI

InChI=1S/C20H16FN5O/c21-18-10-5-4-9-17(18)20(27)24-23-13-16-14-26(12-6-11-22)25-19(16)15-7-2-1-3-8-15/h1-5,7-10,13-14H,6,12H2,(H,24,27)/b23-13-