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

Systemtic Name: tert-butyl N-[3-[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]prop-2-ynyl]carbamate Openeye Name: tert-butyl N-[3-[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]prop-2-ynyl]carbamate CAS Name: N-[3-[4-[(1-adamantylmethylamino)-oxomethyl]-5-chloro-2-pyridinyl]prop-2-ynyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(1-adamantylmethylcarbamoyl)-5-chloropyridin-2-yl]prop-2-ynyl]carbamate Traditional Name: N-[3-[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]prop-2-ynyl]carbamic acid tert-butyl ester Formula: C25H32ClN3O3 MolecularWeight: 457.99288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC#CC1=CC(=C(C=N1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC#CC1=CC(=C(C=N1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H32ClN3O3/c1-24(2,3)32-23(31)27-6-4-5-19-10-20(21(26)14-28-19)22(30)29-15-25-11-16-7-17(12-25)9-18(8-16)13-25/h10,14,16-18H,6-9,11-13,15H2,1-3H3,(H,27,31)(H,29,30)