7-[2-azido-2-(4-cyanophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: 7-[2-azido-2-(4-cyanophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: 7-[2-azido-2-(4-cyanophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate CAS Name: 7-[2-azido-2-(4-cyanophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate IUPAC Name: 7-[2-azido-2-(4-cyanophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 7-[2-azido-2-(4-cyanophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Formula: C17H19N6O2- MolecularWeight: 339.37176

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(CC1CN(C2)C(=O)[O-])CC(C3=CC=C(C=C3)C#N)N=[N+]=[N-]

Isomeric SMILES

C1C2CN(CC1CN(C2)C(=O)[O-])CC(C3=CC=C(C=C3)C#N)N=[N+]=[N-]

InChI

InChI=1S/C17H20N6O2/c18-6-12-1-3-15(4-2-12)16(20-21-19)11-22-7-13-5-14(8-22)10-23(9-13)17(24)25/h1-4,13-14,16H,5,7-11H2,(H,24,25)/p-1