N-(1-adamantylmethyl)-5-chloranyl-2-[2-(2-hydroxyethylamino)ethylamino]pyridine-4-carboxamide dihydrochloride

Systemtic Name: N-(1-adamantylmethyl)-5-chloranyl-2-[2-(2-hydroxyethylamino)ethylamino]pyridine-4-carboxamide dihydrochloride Openeye Name: N-(1-adamantylmethyl)-5-chloro-2-[2-(2-hydroxyethylamino)ethylamino]pyridine-4-carboxamide dihydrochloride CAS Name: N-(1-adamantylmethyl)-5-chloro-2-[2-(2-hydroxyethylamino)ethylamino]-4-pyridinecarboxamide dihydrochloride IUPAC Name: N-(1-adamantylmethyl)-5-chloro-2-[2-(2-hydroxyethylamino)ethylamino]pyridine-4-carboxamide dihydrochloride Traditional Name: N-(1-adamantylmethyl)-5-chloro-2-[2-(2-hydroxyethylamino)ethylamino]isonicotinamide dihydrochloride Formula: C21H33Cl3N4O2 MolecularWeight: 479.87132

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NC=C4Cl)NCCNCCO.Cl.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NC=C4Cl)NCCNCCO.Cl.Cl

InChI

InChI=1S/C21H31ClN4O2.2ClH/c22-18-12-25-19(24-2-1-23-3-4-27)8-17(18)20(28)26-13-21-9-14-5-15(10-21)7-16(6-14)11-21;;/h8,12,14-16,23,27H,1-7,9-11,13H2,(H,24,25)(H,26,28);2*1H