[N-[2-cyano-3-(4-methylcyclohexyl)-1-oxidanylidene-1-(piperidin-4-ylamino)propan-2-yl]-C-pyrrolidin-1-yl-carbonimidoyl]carbamic acid

Systemtic Name: [N-[2-cyano-3-(4-methylcyclohexyl)-1-oxidanylidene-1-(piperidin-4-ylamino)propan-2-yl]-C-pyrrolidin-1-yl-carbonimidoyl]carbamic acid Openeye Name: [N-[1-cyano-1-[(4-methylcyclohexyl)methyl]-2-oxo-2-(4-piperidylamino)ethyl]-C-pyrrolidin-1-yl-carbonimidoyl]carbamic acid CAS Name: [[2-cyano-3-(4-methylcyclohexyl)-1-oxo-1-(4-piperidinylamino)propan-2-yl]imino-(1-pyrrolidinyl)methyl]carbamic acid IUPAC Name: [N-[2-cyano-3-(4-methylcyclohexyl)-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-C-pyrrolidin-1-ylcarbonimidoyl]carbamic acid Traditional Name: [N-[1-cyano-2-keto-1-[(4-methylcyclohexyl)methyl]-2-(4-piperidylamino)ethyl]-C-pyrrolidino-carbonimidoyl]carbamic acid Formula: C22H36N6O3 MolecularWeight: 432.55964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)CC(C#N)(C(=O)NC2CCNCC2)N=C(NC(=O)O)N3CCCC3

Isomeric SMILES

CC1CCC(CC1)CC(C#N)(C(=O)NC2CCNCC2)N=C(NC(=O)O)N3CCCC3

InChI

InChI=1S/C22H36N6O3/c1-16-4-6-17(7-5-16)14-22(15-23,19(29)25-18-8-10-24-11-9-18)27-20(26-21(30)31)28-12-2-3-13-28/h16-18,24H,2-14H2,1H3,(H,25,29)(H,26,27)(H,30,31)