(E)-3-(1,3-benzodioxol-5-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[3-(2-methyl-4-pyrimidinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acrylamide Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17N3O3/c1-14-22-10-9-18(23-14)16-3-2-4-17(12-16)24-21(25)8-6-15-5-7-19-20(11-15)27-13-26-19/h2-12H,13H2,1H3,(H,24,25)/b8-6+