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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromophenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-[(4-bromophenyl)methyl]piperidine-4-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromophenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-piperonylideneamino]isonipecotamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NN=CC2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)N/N=C/C2=CC3=C(C=C2)OCO3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3O3/c22-18-4-1-15(2-5-18)13-25-9-7-17(8-10-25)21(26)24-23-12-16-3-6-19-20(11-16)28-14-27-19/h1-6,11-12,17H,7-10,13-14H2,(H,24,26)/b23-12+