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

Systemtic Name: N-(3-oxidanylideneprop-1-ynyl)-N-[6-[(phenylmethyl)amino]hexyl]pyridine-4-carboxamide Openeye Name: N-[6-(benzylamino)hexyl]-N-(3-oxoprop-1-ynyl)pyridine-4-carboxamide CAS Name: N-(3-oxoprop-1-ynyl)-N-[6-[(phenylmethyl)amino]hexyl]-4-pyridinecarboxamide IUPAC Name: N-[6-(benzylamino)hexyl]-N-(3-oxoprop-1-ynyl)pyridine-4-carboxamide Traditional Name: N-[6-(benzylamino)hexyl]-N-(3-ketoprop-1-ynyl)isonicotinamide Formula: C22H25N3O2 MolecularWeight: 363.4528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCCCN(C#CC=O)C(=O)C2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCCCN(C#CC=O)C(=O)C2=CC=NC=C2

InChI

InChI=1S/C22H25N3O2/c26-18-8-17-25(22(27)21-11-14-23-15-12-21)16-7-2-1-6-13-24-19-20-9-4-3-5-10-20/h3-5,9-12,14-15,18,24H,1-2,6-7,13,16,19H2