(E)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylamide Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C22H20BrN3O3/c1-14-17(15(2)26(25-14)16-6-4-3-5-7-16)8-9-22(27)24-19-13-21-20(12-18(19)23)28-10-11-29-21/h3-9,12-13H,10-11H2,1-2H3,(H,24,27)/b9-8+