3-[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]prop-2-ynyl N-tert-butyl-N-ethyl-carbamate

Systemtic Name: 3-[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]prop-2-ynyl N-tert-butyl-N-ethyl-carbamate Openeye Name: 3-[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]prop-2-ynyl N-tert-butyl-N-ethyl-carbamate CAS Name: N-tert-butyl-N-ethylcarbamic acid 3-[4-[(1-adamantylmethylamino)-oxomethyl]-5-chloro-2-pyridinyl]prop-2-ynyl ester IUPAC Name: 3-[4-(1-adamantylmethylcarbamoyl)-5-chloropyridin-2-yl]prop-2-ynyl N-tert-butyl-N-ethylcarbamate Traditional Name: N-tert-butyl-N-ethyl-carbamic acid 3-[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]prop-2-ynyl ester Formula: C27H36ClN3O3 MolecularWeight: 486.04604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)OCC#CC1=CC(=C(C=N1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3)C(C)(C)C

Isomeric SMILES

CCN(C(=O)OCC#CC1=CC(=C(C=N1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3)C(C)(C)C

InChI

InChI=1S/C27H36ClN3O3/c1-5-31(26(2,3)4)25(33)34-8-6-7-21-12-22(23(28)16-29-21)24(32)30-17-27-13-18-9-19(14-27)11-20(10-18)15-27/h12,16,18-20H,5,8-11,13-15,17H2,1-4H3,(H,30,32)