[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC(=CN=C1)Br)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC(=CN=C1)Br)C2(CCCCC2)C#N

InChI

InChI=1S/C16H18BrN3O3/c1-20(16(11-18)5-3-2-4-6-16)14(21)10-23-15(22)12-7-13(17)9-19-8-12/h7-9H,2-6,10H2,1H3