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

Systemtic Name: N-(1-adamantylmethyl)-5-chloranyl-2-[3-(propan-2-ylamino)propyl]pyridine-4-carboxamide dihydrochloride Openeye Name: N-(1-adamantylmethyl)-5-chloro-2-[3-(isopropylamino)propyl]pyridine-4-carboxamide dihydrochloride CAS Name: N-(1-adamantylmethyl)-5-chloro-2-[3-(propan-2-ylamino)propyl]-4-pyridinecarboxamide dihydrochloride IUPAC Name: N-(1-adamantylmethyl)-5-chloro-2-[3-(propan-2-ylamino)propyl]pyridine-4-carboxamide dihydrochloride Traditional Name: N-(1-adamantylmethyl)-5-chloro-2-[3-(isopropylamino)propyl]isonicotinamide dihydrochloride Formula: C23H36Cl3N3O MolecularWeight: 476.91044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCC1=NC=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl.Cl.Cl

Isomeric SMILES

CC(C)NCCCC1=NC=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl.Cl.Cl

InChI

InChI=1S/C23H34ClN3O.2ClH/c1-15(2)25-5-3-4-19-9-20(21(24)13-26-19)22(28)27-14-23-10-16-6-17(11-23)8-18(7-16)12-23;;/h9,13,15-18,25H,3-8,10-12,14H2,1-2H3,(H,27,28);2*1H