[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-phenylimidazole-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-phenylimidazole-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-phenylimidazole-4-carboxylate CAS Name: 3-phenyl-4-imidazolecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-phenylimidazole-4-carboxylate Traditional Name: 3-phenylimidazole-4-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CN=CN2C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CN=CN2C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3/c20-13-19(9-5-2-6-10-19)22-17(24)12-26-18(25)16-11-21-14-23(16)15-7-3-1-4-8-15/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,22,24)