tert-butyl 1-methyl-4-[[3-(2-methylbut-3-yn-2-ylamino)pyridin-2-yl]amino]piperidine-2-carboxylate

Systemtic Name: tert-butyl 1-methyl-4-[[3-(2-methylbut-3-yn-2-ylamino)pyridin-2-yl]amino]piperidine-2-carboxylate Openeye Name: tert-butyl 4-[[3-(1,1-dimethylprop-2-ynylamino)-2-pyridyl]amino]-1-methyl-piperidine-2-carboxylate CAS Name: 1-methyl-4-[[3-(2-methylbut-3-yn-2-ylamino)-2-pyridinyl]amino]-2-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-methyl-4-[[3-(2-methylbut-3-yn-2-ylamino)pyridin-2-yl]amino]piperidine-2-carboxylate Traditional Name: 4-[[3-(1,1-dimethylprop-2-ynylamino)-2-pyridyl]amino]-1-methyl-pipecolinic acid tert-butyl ester Formula: C21H32N4O2 MolecularWeight: 372.50438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(CCN1C)NC2=C(C=CC=N2)NC(C)(C)C#C

Isomeric SMILES

CC(C)(C)OC(=O)C1CC(CCN1C)NC2=C(C=CC=N2)NC(C)(C)C#C

InChI

InChI=1S/C21H32N4O2/c1-8-21(5,6)24-16-10-9-12-22-18(16)23-15-11-13-25(7)17(14-15)19(26)27-20(2,3)4/h1,9-10,12,15,17,24H,11,13-14H2,2-7H3,(H,22,23)