N-(1-adamantylmethyl)-2-(3-azanylpropylamino)-3-chloranyl-pyridine-4-carboxamide dihydrochloride

Systemtic Name: N-(1-adamantylmethyl)-2-(3-azanylpropylamino)-3-chloranyl-pyridine-4-carboxamide dihydrochloride Openeye Name: N-(1-adamantylmethyl)-2-(3-aminopropylamino)-3-chloro-pyridine-4-carboxamide dihydrochloride CAS Name: N-(1-adamantylmethyl)-2-(3-aminopropylamino)-3-chloro-4-pyridinecarboxamide dihydrochloride IUPAC Name: N-(1-adamantylmethyl)-2-(3-aminopropylamino)-3-chloropyridine-4-carboxamide dihydrochloride Traditional Name: N-(1-adamantylmethyl)-2-(3-aminopropylamino)-3-chloro-isonicotinamide dihydrochloride Formula: C20H31Cl3N4O MolecularWeight: 449.84534

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C(=NC=C4)NCCCN)Cl.Cl.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C(=NC=C4)NCCCN)Cl.Cl.Cl

InChI

InChI=1S/C20H29ClN4O.2ClH/c21-17-16(2-5-24-18(17)23-4-1-3-22)19(26)25-12-20-9-13-6-14(10-20)8-15(7-13)11-20;;/h2,5,13-15H,1,3-4,6-12,22H2,(H,23,24)(H,25,26);2*1H