tert-butyl 4-[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(1-adamantylmethylcarbamoyl)-5-chloranyl-pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[4-[(1-adamantylmethylamino)-oxomethyl]-5-chloro-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1-adamantylmethylcarbamoyl)-5-chloropyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(1-adamantylmethylcarbamoyl)-5-chloro-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H37ClN4O3 MolecularWeight: 489.04998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C26H37ClN4O3/c1-25(2,3)34-24(33)31-6-4-30(5-7-31)22-11-20(21(27)15-28-22)23(32)29-16-26-12-17-8-18(13-26)10-19(9-17)14-26/h11,15,17-19H,4-10,12-14,16H2,1-3H3,(H,29,32)