(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide

Systemtic Name: (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide Openeye Name: (E)-3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide CAS Name: (E)-3-[5-(4-bromophenyl)-2-furanyl]-2-cyano-N-[3-(1-imidazolyl)propyl]-2-propenamide IUPAC Name: (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide Traditional Name: (E)-3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N-(3-imidazol-1-ylpropyl)acrylamide Formula: C20H17BrN4O2 MolecularWeight: 425.27858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=C(C#N)C(=O)NCCCN3C=CN=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)/C=C(\C#N)/C(=O)NCCCN3C=CN=C3)Br

InChI

InChI=1S/C20H17BrN4O2/c21-17-4-2-15(3-5-17)19-7-6-18(27-19)12-16(13-22)20(26)24-8-1-10-25-11-9-23-14-25/h2-7,9,11-12,14H,1,8,10H2,(H,24,26)/b16-12+