N-[(1,3-diphenylpyrazol-4-yl)methyl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-9-oxo-bicyclo[3.3.1]nonane-3-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-9-oxo-3-bicyclo[3.3.1]nonanecarboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-9-keto-bicyclo[3.3.1]nonane-3-carboxamide Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O2/c30-25-19-10-7-11-20(25)15-21(14-19)26(31)27-16-22-17-29(23-12-5-2-6-13-23)28-24(22)18-8-3-1-4-9-18/h1-6,8-9,12-13,17,19-21H,7,10-11,14-16H2,(H,27,31)