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

Systemtic Name: (E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)acrylamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C(C#N)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)/C=C(\C#N)/C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25N3O3/c1-15-10-17(16(2)26(15)20-6-4-3-5-7-20)11-18(13-24)23(27)25-19-8-9-21-22(12-19)29-14-28-21/h8-12,20H,3-7,14H2,1-2H3,(H,25,27)/b18-11+