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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromophenyl)methyl]pyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-piperonylideneamino]pyrazole-3-carboxamide Formula: C19H15BrN4O3 MolecularWeight: 427.2514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN4O3/c20-15-4-1-13(2-5-15)11-24-8-7-16(23-24)19(25)22-21-10-14-3-6-17-18(9-14)27-12-26-17/h1-10H,11-12H2,(H,22,25)/b21-10+