3-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)pyrrole-2-carboxamide

Systemtic Name: 3-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)pyrrole-2-carboxamide Openeye Name: 3-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)pyrrole-2-carboxamide CAS Name: 3-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-2-pyrrolecarboxamide IUPAC Name: 3-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)pyrrole-2-carboxamide Traditional Name: 3-cyano-1-(4-fluorophenyl)-N-homoveratryl-pyrrole-2-carboxamide Formula: C22H20FN3O3 MolecularWeight: 393.410903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CN2C3=CC=C(C=C3)F)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CN2C3=CC=C(C=C3)F)C#N)OC

InChI

InChI=1S/C22H20FN3O3/c1-28-19-8-3-15(13-20(19)29-2)9-11-25-22(27)21-16(14-24)10-12-26(21)18-6-4-17(23)5-7-18/h3-8,10,12-13H,9,11H2,1-2H3,(H,25,27)