(2S,3R)-5-methyl-2-propyl-3-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-hexanamide

Systemtic Name: (2S,3R)-5-methyl-2-propyl-3-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-hexanamide Openeye Name: (2S,3R)-5-methyl-2-propyl-3-[4-(4-pyridyl)piperazine-1-carbonyl]hexanamide CAS Name: (2S,3R)-5-methyl-3-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]-2-propylhexanamide IUPAC Name: (2S,3R)-5-methyl-2-propyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)hexanamide Traditional Name: (2S,3R)-5-methyl-2-propyl-3-[4-(4-pyridyl)piperazine-1-carbonyl]hexanamide Formula: C20H32N4O2 MolecularWeight: 360.49368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)N1CCN(CC1)C2=CC=NC=C2)C(=O)N

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)C)C(=O)N1CCN(CC1)C2=CC=NC=C2)C(=O)N

InChI

InChI=1S/C20H32N4O2/c1-4-5-17(19(21)25)18(14-15(2)3)20(26)24-12-10-23(11-13-24)16-6-8-22-9-7-16/h6-9,15,17-18H,4-5,10-14H2,1-3H3,(H2,21,25)/t17-,18+/m0/s1