(E)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C20H16BrN3O3 MolecularWeight: 426.26334

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H16BrN3O3/c21-16-10-18-19(27-9-8-26-18)11-17(16)23-20(25)7-6-14-12-22-24(13-14)15-4-2-1-3-5-15/h1-7,10-13H,8-9H2,(H,23,25)/b7-6+