[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H26N4O3/c1-14(19(25)23-17-4-2-3-5-17)27-20(26)16-8-10-24(11-9-16)18-7-6-15(12-21)13-22-18/h6-7,13-14,16-17H,2-5,8-11H2,1H3,(H,23,25)