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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C21H23N3O3/c1-4-7-24-14(2)8-17(15(24)3)10-18(11-22)21(25)23-12-16-5-6-19-20(9-16)27-13-26-19/h5-6,8-10H,4,7,12-13H2,1-3H3,(H,23,25)/b18-10+