2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enamide

Systemtic Name: 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enamide Openeye Name: 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enamide CAS Name: 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenamide IUPAC Name: 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enamide Traditional Name: 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylamide Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H25N3O3/c1-14(2)13-25-15(3)9-17(16(25)4)10-18(12-23)22(26)24-19-5-6-20-21(11-19)28-8-7-27-20/h5-6,9-11,14H,7-8,13H2,1-4H3,(H,24,26)