N-(1-adamantylmethyl)-5-chloranyl-2-[3-[(3-methyl-1-oxidanyl-butan-2-yl)amino]propyl]pyridine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-5-chloranyl-2-[3-[(3-methyl-1-oxidanyl-butan-2-yl)amino]propyl]pyridine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-chloro-2-[3-[[1-(hydroxymethyl)-2-methyl-propyl]amino]propyl]pyridine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-5-chloro-2-[3-[(1-hydroxy-3-methylbutan-2-yl)amino]propyl]-4-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-chloro-2-[3-[(1-hydroxy-3-methylbutan-2-yl)amino]propyl]pyridine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-chloro-2-[3-[(2-methyl-1-methylol-propyl)amino]propyl]isonicotinamide Formula: C25H38ClN3O2 MolecularWeight: 448.04112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38ClN3O2/c1-16(2)23(14-30)27-5-3-4-20-9-21(22(26)13-28-20)24(31)29-15-25-10-17-6-18(11-25)8-19(7-17)12-25/h9,13,16-19,23,27,30H,3-8,10-12,14-15H2,1-2H3,(H,29,31)