tert-butyl 7-[3-[(4-cyanophenyl)amino]propyl]-1,5-dimethyl-9-oxidanyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: tert-butyl 7-[3-[(4-cyanophenyl)amino]propyl]-1,5-dimethyl-9-oxidanyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: tert-butyl 7-[3-(4-cyanoanilino)propyl]-9-hydroxy-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate CAS Name: 7-[3-(4-cyanoanilino)propyl]-9-hydroxy-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[3-(4-cyanoanilino)propyl]-9-hydroxy-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 7-[3-(4-cyanoanilino)propyl]-9-hydroxy-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester Formula: C24H36N4O3 MolecularWeight: 428.56764

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Descriptors Computed from Structure

Canonical SMILES:

CC12CN(CC(C1O)(CN(C2)C(=O)OC(C)(C)C)C)CCCNC3=CC=C(C=C3)C#N

Isomeric SMILES

CC12CN(CC(C1O)(CN(C2)C(=O)OC(C)(C)C)C)CCCNC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H36N4O3/c1-22(2,3)31-21(30)28-16-23(4)14-27(15-24(5,17-28)20(23)29)12-6-11-26-19-9-7-18(13-25)8-10-19/h7-10,20,26,29H,6,11-12,14-17H2,1-5H3