ethyl N-[N-[1-[(3-cyano-1-pentan-3-yl-pyrrolidin-3-yl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-C-morpholin-4-yl-carbonimidoyl]carbamate

Systemtic Name: ethyl N-[N-[1-[(3-cyano-1-pentan-3-yl-pyrrolidin-3-yl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-C-morpholin-4-yl-carbonimidoyl]carbamate Openeye Name: ethyl N-[N-[2-[[3-cyano-1-(1-ethylpropyl)pyrrolidin-3-yl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]-C-morpholino-carbonimidoyl]carbamate CAS Name: N-[[1-[(3-cyano-1-pentan-3-yl-3-pyrrolidinyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]imino-(4-morpholinyl)methyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[N-[1-[(3-cyano-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate Traditional Name: N-[N-[2-[[3-cyano-1-(1-ethylpropyl)pyrrolidin-3-yl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]-C-morpholino-carbonimidoyl]carbamic acid ethyl ester Formula: C27H46N6O4 MolecularWeight: 518.69194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCC(C1)(C#N)NC(=O)C(CC2CCCCC2)N=C(NC(=O)OCC)N3CCOCC3

Isomeric SMILES

CCC(CC)N1CCC(C1)(C#N)NC(=O)C(CC2CCCCC2)N=C(NC(=O)OCC)N3CCOCC3

InChI

InChI=1S/C27H46N6O4/c1-4-22(5-2)33-13-12-27(19-28,20-33)31-24(34)23(18-21-10-8-7-9-11-21)29-25(30-26(35)37-6-3)32-14-16-36-17-15-32/h21-23H,4-18,20H2,1-3H3,(H,31,34)(H,29,30,35)