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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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