tert-butyl 4-[4-[(4-oxidanylidenecyclohexyl)carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-oxidanylidenecyclohexyl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-oxocyclohexanecarbonyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[oxo-(4-oxocyclohexyl)methyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-oxocyclohexanecarbonyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-ketocyclohexanecarbonyl)amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCC(=O)CC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCC(=O)CC3

InChI

InChI=1S/C22H31N3O4/c1-22(2,3)29-21(28)25-14-12-24(13-15-25)18-8-6-17(7-9-18)23-20(27)16-4-10-19(26)11-5-16/h6-9,16H,4-5,10-15H2,1-3H3,(H,23,27)