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

Systemtic Name: (2S,3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-5-methyl-2-propyl-hexanamide Openeye Name: (2S,3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide CAS Name: (2S,3R)-3-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]-5-methyl-2-propylhexanamide IUPAC Name: (2S,3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-propylhexanamide Traditional Name: (2S,3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide Formula: C21H32ClN3O2 MolecularWeight: 393.95068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)N1CCN(CC1)C2=CC=CC=C2Cl)C(=O)N

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)C)C(=O)N1CCN(CC1)C2=CC=CC=C2Cl)C(=O)N

InChI

InChI=1S/C21H32ClN3O2/c1-4-7-16(20(23)26)17(14-15(2)3)21(27)25-12-10-24(11-13-25)19-9-6-5-8-18(19)22/h5-6,8-9,15-17H,4,7,10-14H2,1-3H3,(H2,23,26)/t16-,17+/m0/s1