4-bromanyl-N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]benzamide

Systemtic Name: 4-bromanyl-N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]benzamide Openeye Name: 4-bromo-N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzamide CAS Name: 4-bromo-N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylideneamino]benzamide IUPAC Name: 4-bromo-N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide Traditional Name: 4-bromo-N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]benzamide Formula: C25H19BrN4O3 MolecularWeight: 503.34736

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=NNC(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3/C=N/NC(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C25H19BrN4O3/c26-20-9-6-17(7-10-20)25(31)28-27-15-19-16-30(21-4-2-1-3-5-21)29-24(19)18-8-11-22-23(14-18)33-13-12-32-22/h1-11,14-16H,12-13H2,(H,28,31)/b27-15+