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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(CC)CC#CC1=CC(=C(C=N1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCOC(=O)N(CC)CC#CC1=CC(=C(C=N1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C27H36ClN3O3/c1-3-5-9-34-26(33)31(4-2)8-6-7-22-13-23(24(28)17-29-22)25(32)30-18-27-14-19-10-20(15-27)12-21(11-19)16-27/h13,17,19-21H,3-5,8-12,14-16,18H2,1-2H3,(H,30,32)