(2S,3R)-5-methyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-propyl-hexanamide

Systemtic Name: (2S,3R)-5-methyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-propyl-hexanamide Openeye Name: (2S,3R)-3-(4-benzylpiperazine-1-carbonyl)-5-methyl-2-propyl-hexanamide CAS Name: (2S,3R)-5-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-propylhexanamide IUPAC Name: (2S,3R)-3-(4-benzylpiperazine-1-carbonyl)-5-methyl-2-propylhexanamide Traditional Name: (2S,3R)-3-(4-benzylpiperazine-1-carbonyl)-5-methyl-2-propyl-hexanamide Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)N1CCN(CC1)CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)C)C(=O)N1CCN(CC1)CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C22H35N3O2/c1-4-8-19(21(23)26)20(15-17(2)3)22(27)25-13-11-24(12-14-25)16-18-9-6-5-7-10-18/h5-7,9-10,17,19-20H,4,8,11-16H2,1-3H3,(H2,23,26)/t19-,20+/m0/s1