N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)-5-ethyl-pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)-5-ethyl-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)-5-ethyl-pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)-5-ethyl-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)-5-ethylpyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-5-ethyl-N-piperonyl-pyrazole-4-carboxamide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18BrN3O3/c1-2-17-16(11-23-24(17)15-6-4-14(21)5-7-15)20(25)22-10-13-3-8-18-19(9-13)27-12-26-18/h3-9,11H,2,10,12H2,1H3,(H,22,25)