3-[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]prop-2-ynylcarbamic acid

Systemtic Name: 3-[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]prop-2-ynylcarbamic acid Openeye Name: 3-[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]prop-2-ynylcarbamic acid CAS Name: 3-[4-[(1-adamantylmethylamino)-oxomethyl]-5-chloro-2-pyridinyl]prop-2-ynylcarbamic acid IUPAC Name: 3-[4-(1-adamantylmethylcarbamoyl)-5-chloropyridin-2-yl]prop-2-ynylcarbamic acid Traditional Name: 3-[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]prop-2-ynylcarbamic acid Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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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)