[4-bromanyl-3-(phenylcarbonyl)phenyl] 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate

Systemtic Name: [4-bromanyl-3-(phenylcarbonyl)phenyl] 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate Openeye Name: (3-benzoyl-4-bromo-phenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate CAS Name: 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid (3-benzoyl-4-bromophenyl) ester IUPAC Name: (3-benzoyl-4-bromophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate Traditional Name: 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid (3-benzoyl-4-bromo-phenyl) ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1N(CC2)C(=O)OC3=CC(=C(C=C3)Br)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN2CCC1N(CC2)C(=O)OC3=CC(=C(C=C3)Br)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21BrN2O3/c22-19-7-6-17(14-18(19)20(25)15-4-2-1-3-5-15)27-21(26)24-13-12-23-10-8-16(24)9-11-23/h1-7,14,16H,8-13H2