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

Systemtic Name: [N-[1-[(4-cyano-1-methyl-piperidin-4-yl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-C-pyrrolidin-1-yl-carbonimidoyl]carbamic acid Openeye Name: [N-[2-[(4-cyano-1-methyl-4-piperidyl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]-C-pyrrolidin-1-yl-carbonimidoyl]carbamic acid CAS Name: [[1-[(4-cyano-1-methyl-4-piperidinyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]imino-(1-pyrrolidinyl)methyl]carbamic acid IUPAC Name: [N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-pyrrolidin-1-ylcarbonimidoyl]carbamic acid Traditional Name: [N-[2-[(4-cyano-1-methyl-4-piperidyl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]-C-pyrrolidino-carbonimidoyl]carbamic acid Formula: C22H36N6O3 MolecularWeight: 432.55964

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C#N)NC(=O)C(CC2CCCCC2)N=C(NC(=O)O)N3CCCC3

Isomeric SMILES

CN1CCC(CC1)(C#N)NC(=O)C(CC2CCCCC2)N=C(NC(=O)O)N3CCCC3

InChI

InChI=1S/C22H36N6O3/c1-27-13-9-22(16-23,10-14-27)26-19(29)18(15-17-7-3-2-4-8-17)24-20(25-21(30)31)28-11-5-6-12-28/h17-18H,2-15H2,1H3,(H,24,25)(H,26,29)(H,30,31)