9-oxidanylidene-N-[2-(4-pyrazol-1-ylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

Systemtic Name: 9-oxidanylidene-N-[2-(4-pyrazol-1-ylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide Openeye Name: 9-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide CAS Name: 9-oxo-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]-3-bicyclo[3.3.1]nonanecarboxamide IUPAC Name: 9-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide Traditional Name: 9-keto-N-[2-(4-pyrazol-1-ylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide Formula: C21H25N3O2 MolecularWeight: 351.4421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H25N3O2/c25-20-16-3-1-4-17(20)14-18(13-16)21(26)22-11-9-15-5-7-19(8-6-15)24-12-2-10-23-24/h2,5-8,10,12,16-18H,1,3-4,9,11,13-14H2,(H,22,26)