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

Systemtic Name: 7-[2-(4-cyanophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: 7-[2-(4-cyanophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate CAS Name: 7-[2-(4-cyanophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate IUPAC Name: 7-[2-(4-cyanophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 7-[2-(4-cyanophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Formula: C17H20N3O2- MolecularWeight: 298.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(CC1CN(C2)C(=O)[O-])CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C2CN(CC1CN(C2)C(=O)[O-])CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H21N3O2/c18-8-14-3-1-13(2-4-14)5-6-19-9-15-7-16(10-19)12-20(11-15)17(21)22/h1-4,15-16H,5-7,9-12H2,(H,21,22)/p-1