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

Systemtic Name: N-(1-adamantylmethyl)-5-chloranyl-2-[[2-(methylamino)ethylamino]methyl]pyridine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-chloro-2-[[2-(methylamino)ethylamino]methyl]pyridine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-5-chloro-2-[[2-(methylamino)ethylamino]methyl]-4-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-chloro-2-[[2-(methylamino)ethylamino]methyl]pyridine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-chloro-2-[[2-(methylamino)ethylamino]methyl]isonicotinamide Formula: C21H31ClN4O MolecularWeight: 390.95004

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Descriptors Computed from Structure

Canonical SMILES:

CNCCNCC1=NC=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CNCCNCC1=NC=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C21H31ClN4O/c1-23-2-3-24-11-17-7-18(19(22)12-25-17)20(27)26-13-21-8-14-4-15(9-21)6-16(5-14)10-21/h7,12,14-16,23-24H,2-6,8-11,13H2,1H3,(H,26,27)