N-(1-adamantylmethyl)-5-bromanyl-2-[3-(methylamino)-2-oxidanyl-propoxy]pyridine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-5-bromanyl-2-[3-(methylamino)-2-oxidanyl-propoxy]pyridine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-bromo-2-[2-hydroxy-3-(methylamino)propoxy]pyridine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-5-bromo-2-[2-hydroxy-3-(methylamino)propoxy]-4-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-bromo-2-[2-hydroxy-3-(methylamino)propoxy]pyridine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-bromo-2-[2-hydroxy-3-(methylamino)propoxy]isonicotinamide Formula: C21H30BrN3O3 MolecularWeight: 452.3852

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(COC1=NC=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Br)O

Isomeric SMILES

CNCC(COC1=NC=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Br)O

InChI

InChI=1S/C21H30BrN3O3/c1-23-9-16(26)11-28-19-5-17(18(22)10-24-19)20(27)25-12-21-6-13-2-14(7-21)4-15(3-13)8-21/h5,10,13-16,23,26H,2-4,6-9,11-12H2,1H3,(H,25,27)