N,N-diethyl-2-(3-oxidanylideneprop-1-ynyl)-3-[6-[(phenylmethyl)amino]hexyl]pyridine-4-carboxamide

Systemtic Name: N,N-diethyl-2-(3-oxidanylideneprop-1-ynyl)-3-[6-[(phenylmethyl)amino]hexyl]pyridine-4-carboxamide Openeye Name: 3-[6-(benzylamino)hexyl]-N,N-diethyl-2-(3-oxoprop-1-ynyl)pyridine-4-carboxamide CAS Name: N,N-diethyl-2-(3-oxoprop-1-ynyl)-3-[6-[(phenylmethyl)amino]hexyl]-4-pyridinecarboxamide IUPAC Name: 3-[6-(benzylamino)hexyl]-N,N-diethyl-2-(3-oxoprop-1-ynyl)pyridine-4-carboxamide Traditional Name: 3-[6-(benzylamino)hexyl]-N,N-diethyl-2-(3-ketoprop-1-ynyl)isonicotinamide Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=NC=C1)C#CC=O)CCCCCCNCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=NC=C1)C#CC=O)CCCCCCNCC2=CC=CC=C2

InChI

InChI=1S/C26H33N3O2/c1-3-29(4-2)26(31)24-17-19-28-25(16-12-20-30)23(24)15-10-5-6-11-18-27-21-22-13-8-7-9-14-22/h7-9,13-14,17,19-20,27H,3-6,10-11,15,18,21H2,1-2H3