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

Systemtic Name: (2S,3R)-3-[4-(4-chlorophenyl)-3-methyl-piperazin-1-yl]carbonyl-5-methyl-2-propyl-hexanamide Openeye Name: (2S,3R)-3-[4-(4-chlorophenyl)-3-methyl-piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide CAS Name: (2S,3R)-3-[[4-(4-chlorophenyl)-3-methyl-1-piperazinyl]-oxomethyl]-5-methyl-2-propylhexanamide IUPAC Name: (2S,3R)-3-[4-(4-chlorophenyl)-3-methylpiperazine-1-carbonyl]-5-methyl-2-propylhexanamide Traditional Name: (2S,3R)-3-[4-(4-chlorophenyl)-3-methyl-piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide Formula: C22H34ClN3O2 MolecularWeight: 407.97726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)N1CCN(C(C1)C)C2=CC=C(C=C2)Cl)C(=O)N

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)C)C(=O)N1CCN(C(C1)C)C2=CC=C(C=C2)Cl)C(=O)N

InChI

InChI=1S/C22H34ClN3O2/c1-5-6-19(21(24)27)20(13-15(2)3)22(28)25-11-12-26(16(4)14-25)18-9-7-17(23)8-10-18/h7-10,15-16,19-20H,5-6,11-14H2,1-4H3,(H2,24,27)/t16?,19-,20+/m0/s1