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

Systemtic Name: 1-(3-bromophenyl)-3-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxamide Openeye Name: 1-(3-bromophenyl)-3-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxamide CAS Name: 1-(3-bromophenyl)-3-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrolecarboxamide IUPAC Name: 1-(3-bromophenyl)-3-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrole-2-carboxamide Traditional Name: 1-(3-bromophenyl)-3-cyano-N-homoveratryl-pyrrole-2-carboxamide Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3O3/c1-28-19-7-6-15(12-20(19)29-2)8-10-25-22(27)21-16(14-24)9-11-26(21)18-5-3-4-17(23)13-18/h3-7,9,11-13H,8,10H2,1-2H3,(H,25,27)