N-(1-adamantylmethyl)-5-chloranyl-2-[[3-(methylamino)propylamino]methyl]pyridine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-5-chloranyl-2-[[3-(methylamino)propylamino]methyl]pyridine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-chloro-2-[[3-(methylamino)propylamino]methyl]pyridine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-5-chloro-2-[[3-(methylamino)propylamino]methyl]-4-pyridinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-chloro-2-[[3-(methylamino)propylamino]methyl]pyridine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-chloro-2-[[3-(methylamino)propylamino]methyl]isonicotinamide Formula: C22H33ClN4O MolecularWeight: 404.97662

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCNCC1=NC=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CNCCCNCC1=NC=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C22H33ClN4O/c1-24-3-2-4-25-12-18-8-19(20(23)13-26-18)21(28)27-14-22-9-15-5-16(10-22)7-17(6-15)11-22/h8,13,15-17,24-25H,2-7,9-12,14H2,1H3,(H,27,28)