N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-9-oxo-bicyclo[3.3.1]nonane-3-carboxamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-9-oxo-3-bicyclo[3.3.1]nonanecarboxamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-9-keto-bicyclo[3.3.1]nonane-3-carboxamide Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c24-14-19-20(27-28(22(19)25)18-8-2-1-3-9-18)10-5-11-26-23(30)17-12-15-6-4-7-16(13-17)21(15)29/h1-3,8-9,15-17H,4-7,10-13,25H2,(H,26,30)