N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-9-oxo-bicyclo[3.3.1]nonane-3-carboxamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-9-oxo-3-bicyclo[3.3.1]nonanecarboxamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-9-keto-bicyclo[3.3.1]nonane-3-carboxamide Formula: C20H22BrN3O2 MolecularWeight: 416.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H22BrN3O2/c21-17-6-4-13(5-7-17)12-24-18(8-9-22-24)23-20(26)16-10-14-2-1-3-15(11-16)19(14)25/h4-9,14-16H,1-3,10-12H2,(H,23,26)