(E)-3-[5-chloranyl-2-[(4-fluorophenyl)methoxy]phenyl]-2-cyano-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-3-[5-chloranyl-2-[(4-fluorophenyl)methoxy]phenyl]-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: (E)-3-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-3-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-2-cyano-N-phenethyl-2-propenamide IUPAC Name: (E)-3-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-3-[5-chloro-2-(4-fluorobenzyl)oxy-phenyl]-2-cyano-N-phenethyl-acrylamide Formula: C25H20ClFN2O2 MolecularWeight: 434.889903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=CC2=C(C=CC(=C2)Cl)OCC3=CC=C(C=C3)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=C(C=CC(=C2)Cl)OCC3=CC=C(C=C3)F)/C#N

InChI

InChI=1S/C25H20ClFN2O2/c26-22-8-11-24(31-17-19-6-9-23(27)10-7-19)20(15-22)14-21(16-28)25(30)29-13-12-18-4-2-1-3-5-18/h1-11,14-15H,12-13,17H2,(H,29,30)/b21-14+