(E)-N-(3-chloranyl-4-fluoranyl-phenyl)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide

Systemtic Name: (E)-N-(3-chloranyl-4-fluoranyl-phenyl)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide Openeye Name: (E)-N-(3-chloro-4-fluoro-phenyl)-2-cyano-3-[4-(1-piperidyl)phenyl]prop-2-enamide CAS Name: (E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-[4-(1-piperidinyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide Traditional Name: (E)-N-(3-chloro-4-fluoro-phenyl)-2-cyano-3-(4-piperidinophenyl)acrylamide Formula: C21H19ClFN3O MolecularWeight: 383.846463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H19ClFN3O/c22-19-13-17(6-9-20(19)23)25-21(27)16(14-24)12-15-4-7-18(8-5-15)26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11H2,(H,25,27)/b16-12+