ethyl N-[N-[1-[(4-cyano-1-propyl-piperidin-4-yl)amino]-3-cyclooctyl-1-oxidanylidene-propan-2-yl]-C-morpholin-4-yl-carbonimidoyl]carbamate

Systemtic Name: ethyl N-[N-[1-[(4-cyano-1-propyl-piperidin-4-yl)amino]-3-cyclooctyl-1-oxidanylidene-propan-2-yl]-C-morpholin-4-yl-carbonimidoyl]carbamate Openeye Name: ethyl N-[N-[2-[(4-cyano-1-propyl-4-piperidyl)amino]-1-(cyclooctylmethyl)-2-oxo-ethyl]-C-morpholino-carbonimidoyl]carbamate CAS Name: N-[[1-[(4-cyano-1-propyl-4-piperidinyl)amino]-3-cyclooctyl-1-oxopropan-2-yl]imino-(4-morpholinyl)methyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-3-cyclooctyl-1-oxopropan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate Traditional Name: N-[N-[2-[(4-cyano-1-propyl-4-piperidyl)amino]-1-(cyclooctylmethyl)-2-keto-ethyl]-C-morpholino-carbonimidoyl]carbamic acid ethyl ester Formula: C28H48N6O4 MolecularWeight: 532.71852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)(C#N)NC(=O)C(CC2CCCCCCC2)N=C(NC(=O)OCC)N3CCOCC3

Isomeric SMILES

CCCN1CCC(CC1)(C#N)NC(=O)C(CC2CCCCCCC2)N=C(NC(=O)OCC)N3CCOCC3

InChI

InChI=1S/C28H48N6O4/c1-3-14-33-15-12-28(22-29,13-16-33)32-25(35)24(21-23-10-8-6-5-7-9-11-23)30-26(31-27(36)38-4-2)34-17-19-37-20-18-34/h23-24H,3-21H2,1-2H3,(H,32,35)(H,30,31,36)