N'-[(2S)-heptan-2-yl]-N-pyridin-3-yl-butanediamide

Systemtic Name: N'-[(2S)-heptan-2-yl]-N-pyridin-3-yl-butanediamide Openeye Name: N'-[(1S)-1-methylhexyl]-N-(3-pyridyl)butanediamide CAS Name: N'-[(2S)-heptan-2-yl]-N-(3-pyridinyl)butanediamide IUPAC Name: N'-[(2S)-heptan-2-yl]-N-pyridin-3-ylbutanediamide Traditional Name: N'-[(1S)-1-methylhexyl]-N-(3-pyridyl)succinamide Formula: C16H25N3O2 MolecularWeight: 291.3886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCC(=O)NC1=CN=CC=C1

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CCC(=O)NC1=CN=CC=C1

InChI

InChI=1S/C16H25N3O2/c1-3-4-5-7-13(2)18-15(20)9-10-16(21)19-14-8-6-11-17-12-14/h6,8,11-13H,3-5,7,9-10H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1