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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H25N5O3 MolecularWeight: 371.4335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2CCCCN2C3=NC=CC=N3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2CCCCN2C3=NC=CC=N3

InChI

InChI=1S/C19H25N5O3/c20-14-19(8-3-1-4-9-19)23-16(25)13-27-17(26)15-7-2-5-12-24(15)18-21-10-6-11-22-18/h6,10-11,15H,1-5,7-9,12-13H2,(H,23,25)