[N-[2-cyano-4,4-dimethyl-1-oxidanylidene-1-(piperidin-4-ylamino)octan-2-yl]-C-morpholin-4-yl-carbonimidoyl]carbamic acid

Systemtic Name: [N-[2-cyano-4,4-dimethyl-1-oxidanylidene-1-(piperidin-4-ylamino)octan-2-yl]-C-morpholin-4-yl-carbonimidoyl]carbamic acid Openeye Name: [N-[1-cyano-3,3-dimethyl-1-(4-piperidylcarbamoyl)heptyl]-C-morpholino-carbonimidoyl]carbamic acid CAS Name: [[2-cyano-4,4-dimethyl-1-oxo-1-(4-piperidinylamino)octan-2-yl]imino-(4-morpholinyl)methyl]carbamic acid IUPAC Name: [N-[2-cyano-4,4-dimethyl-1-oxo-1-(piperidin-4-ylamino)octan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamic acid Traditional Name: [N-[1-cyano-3,3-dimethyl-1-(4-piperidylcarbamoyl)heptyl]-C-morpholino-carbonimidoyl]carbamic acid Formula: C22H38N6O4 MolecularWeight: 450.57492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)CC(C#N)(C(=O)NC1CCNCC1)N=C(NC(=O)O)N2CCOCC2

Isomeric SMILES

CCCCC(C)(C)CC(C#N)(C(=O)NC1CCNCC1)N=C(NC(=O)O)N2CCOCC2

InChI

InChI=1S/C22H38N6O4/c1-4-5-8-21(2,3)15-22(16-23,18(29)25-17-6-9-24-10-7-17)27-19(26-20(30)31)28-11-13-32-14-12-28/h17,24H,4-15H2,1-3H3,(H,25,29)(H,26,27)(H,30,31)