(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-[oxo(1-pyrrolidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(pyrrolidine-1-carbonyl)acrylonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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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)N4CCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C(\C#N)/C(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O3/c1-14-9-16(10-17(12-22)21(25)23-7-3-4-8-23)15(2)24(14)18-5-6-19-20(11-18)27-13-26-19/h5-6,9-11H,3-4,7-8,13H2,1-2H3/b17-10+