[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)C1CCN(CC1)C2=NC=C(C=C2)C#N

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)C1CCN(CC1)C2=NC=C(C=C2)C#N

InChI

InChI=1S/C20H28N4O3/c1-14(2)24(15(3)4)19(25)13-27-20(26)17-7-9-23(10-8-17)18-6-5-16(11-21)12-22-18/h5-6,12,14-15,17H,7-10,13H2,1-4H3