(2E)-2-[[4-(phenylcarbonyl)piperazin-1-yl]-pyridin-3-yl-methylidene]hexanamide

Systemtic Name: (2E)-2-[[4-(phenylcarbonyl)piperazin-1-yl]-pyridin-3-yl-methylidene]hexanamide Openeye Name: (2E)-2-[(4-benzoylpiperazin-1-yl)-(3-pyridyl)methylene]hexanamide CAS Name: (2E)-2-[(4-benzoyl-1-piperazinyl)-(3-pyridinyl)methylidene]hexanamide IUPAC Name: (2E)-2-[(4-benzoylpiperazin-1-yl)-pyridin-3-ylmethylidene]hexanamide Traditional Name: (E)-3-(4-benzoylpiperazino)-2-butyl-3-(3-pyridyl)acrylamide Formula: C23H28N4O2 MolecularWeight: 392.49402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C1=CN=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCCC/C(=C(/C1=CN=CC=C1)\N2CCN(CC2)C(=O)C3=CC=CC=C3)/C(=O)N

InChI

InChI=1S/C23H28N4O2/c1-2-3-11-20(22(24)28)21(19-10-7-12-25-17-19)26-13-15-27(16-14-26)23(29)18-8-5-4-6-9-18/h4-10,12,17H,2-3,11,13-16H2,1H3,(H2,24,28)/b21-20+