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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=C(N(C(=C1)C)C2=CC3=C(C=C2)OCO3)C)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC3=C(C=C2)OCO3)C)/C#N

InChI

InChI=1S/C21H23N3O3/c1-4-5-8-23-21(25)17(12-22)10-16-9-14(2)24(15(16)3)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+