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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-1-(4-chlorobenzyl)-N-[(E)-piperonylideneamino]pyrazole-3-carboxamide Formula: C19H14BrClN4O3 MolecularWeight: 461.69646

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=NN(C=C3Br)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=NN(C=C3Br)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H14BrClN4O3/c20-15-10-25(9-12-1-4-14(21)5-2-12)24-18(15)19(26)23-22-8-13-3-6-16-17(7-13)28-11-27-16/h1-8,10H,9,11H2,(H,23,26)/b22-8+