[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC2(CCCC2)C#N)C3=NC=CC=N3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NC2(CCCC2)C#N)C3=NC=CC=N3

InChI

InChI=1S/C18H23N5O3/c19-13-18(7-2-3-8-18)22-15(24)12-26-16(25)14-6-1-4-11-23(14)17-20-9-5-10-21-17/h5,9-10,14H,1-4,6-8,11-12H2,(H,22,24)