N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromanylpyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromanylpyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromo-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-[(E)-piperonylideneamino]pyrazole-3-carboxamide Formula: C16H13BrN6O3 MolecularWeight: 417.21682

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C16H13BrN6O3/c17-12-7-19-23(8-12)9-22-4-3-13(21-22)16(24)20-18-6-11-1-2-14-15(5-11)26-10-25-14/h1-8H,9-10H2,(H,20,24)/b18-6+