N-(1-adamantylmethyl)-5-chloranyl-2-[3-(methylamino)propyl]pyridine-4-carboxamide dihydrochloride

Systemtic Name: N-(1-adamantylmethyl)-5-chloranyl-2-[3-(methylamino)propyl]pyridine-4-carboxamide dihydrochloride Openeye Name: N-(1-adamantylmethyl)-5-chloro-2-[3-(methylamino)propyl]pyridine-4-carboxamide dihydrochloride CAS Name: N-(1-adamantylmethyl)-5-chloro-2-[3-(methylamino)propyl]-4-pyridinecarboxamide dihydrochloride IUPAC Name: N-(1-adamantylmethyl)-5-chloro-2-[3-(methylamino)propyl]pyridine-4-carboxamide dihydrochloride Traditional Name: N-(1-adamantylmethyl)-5-chloro-2-[3-(methylamino)propyl]isonicotinamide dihydrochloride Formula: C21H32Cl3N3O MolecularWeight: 448.85728

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCC1=NC=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl.Cl.Cl

Isomeric SMILES

CNCCCC1=NC=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl.Cl.Cl

InChI

InChI=1S/C21H30ClN3O.2ClH/c1-23-4-2-3-17-8-18(19(22)12-24-17)20(26)25-13-21-9-14-5-15(10-21)7-16(6-14)11-21;;/h8,12,14-16,23H,2-7,9-11,13H2,1H3,(H,25,26);2*1H