(E)-N-(1,3-benzodioxol-5-yl)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-(1,3-benzodioxol-5-yl)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylamide Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C21H23N3O3/c1-4-5-8-24-14(2)9-16(15(24)3)10-17(12-22)21(25)23-18-6-7-19-20(11-18)27-13-26-19/h6-7,9-11H,4-5,8,13H2,1-3H3,(H,23,25)/b17-10+