1-(2-imidazol-1-ylcarbonyl-3-azabicyclo[2.2.2]octan-3-yl)-4-phenyl-butan-1-one

Systemtic Name: 1-(2-imidazol-1-ylcarbonyl-3-azabicyclo[2.2.2]octan-3-yl)-4-phenyl-butan-1-one Openeye Name: 1-[2-(imidazole-1-carbonyl)-3-azabicyclo[2.2.2]octan-3-yl]-4-phenyl-butan-1-one CAS Name: 1-[2-[1-imidazolyl(oxo)methyl]-3-azabicyclo[2.2.2]octan-3-yl]-4-phenyl-1-butanone IUPAC Name: 1-[2-(imidazole-1-carbonyl)-3-azabicyclo[2.2.2]octan-3-yl]-4-phenylbutan-1-one Traditional Name: 1-[2-(imidazole-1-carbonyl)-3-azabicyclo[2.2.2]octan-3-yl]-4-phenyl-butan-1-one Formula: C21H25N3O2 MolecularWeight: 351.4421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1C(N2C(=O)CCCC3=CC=CC=C3)C(=O)N4C=CN=C4

Isomeric SMILES

C1CC2CCC1C(N2C(=O)CCCC3=CC=CC=C3)C(=O)N4C=CN=C4

InChI

InChI=1S/C21H25N3O2/c25-19(8-4-7-16-5-2-1-3-6-16)24-18-11-9-17(10-12-18)20(24)21(26)23-14-13-22-15-23/h1-3,5-6,13-15,17-18,20H,4,7-12H2