N-(1-adamantylmethyl)-5-chloranyl-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]pyridine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-5-chloranyl-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]pyridine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]pyridine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-5-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]-4-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]pyridine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]isonicotinamide Formula: C22H33ClN4O2 MolecularWeight: 420.97602

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NC=C4Cl)CNCCNCCO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CC(=NC=C4Cl)CNCCNCCO

InChI

InChI=1S/C22H33ClN4O2/c23-20-13-26-18(12-25-2-1-24-3-4-28)8-19(20)21(29)27-14-22-9-15-5-16(10-22)7-17(6-15)11-22/h8,13,15-17,24-25,28H,1-7,9-12,14H2,(H,27,29)