(E)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide

Systemtic Name: (E)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide Openeye Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenamide IUPAC Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enamide Traditional Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC3=C(C=C2Br)OCCO3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2Br)OCCO3)C

InChI

InChI=1S/C21H22BrN3O3/c1-4-5-25-13(2)8-15(14(25)3)9-16(12-23)21(26)24-18-11-20-19(10-17(18)22)27-6-7-28-20/h8-11H,4-7H2,1-3H3,(H,24,26)/b16-9+