3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-N-(4-bromophenyl)-2-cyano-prop-2-enamide

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-N-(4-bromophenyl)-2-cyano-prop-2-enamide Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-N-(4-bromophenyl)-2-cyano-prop-2-enamide CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-N-(4-bromophenyl)-2-cyano-2-propenamide IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-N-(4-bromophenyl)-2-cyanoprop-2-enamide Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-N-(4-bromophenyl)-2-cyano-acrylamide Formula: C23H18BrN3O3 MolecularWeight: 464.31132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C(C#N)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C(C#N)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H18BrN3O3/c1-14-9-16(10-17(12-25)23(28)26-19-5-3-18(24)4-6-19)15(2)27(14)20-7-8-21-22(11-20)30-13-29-21/h3-11H,13H2,1-2H3,(H,26,28)