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

Systemtic Name: N-[3-[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]prop-2-ynyl]carbamate Openeye Name: 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]carbamate IUPAC Name: 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]carbamate Formula: C21H23ClN3O3- MolecularWeight: 400.87862

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=NC(=C4)C#CCNC(=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=NC(=C4)C#CCNC(=O)[O-])Cl

InChI

InChI=1S/C21H24ClN3O3/c22-18-11-24-16(2-1-3-23-20(27)28)7-17(18)19(26)25-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h7,11,13-15,23H,3-6,8-10,12H2,(H,25,26)(H,27,28)/p-1