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

Systemtic Name: (2S,3R)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-5-methyl-2-propyl-hexanamide Openeye Name: (2S,3R)-3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide CAS Name: (2S,3R)-3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-5-methyl-2-propylhexanamide IUPAC Name: (2S,3R)-3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-5-methyl-2-propylhexanamide Traditional Name: (2S,3R)-3-[4-(5-chloro-2-methyl-phenyl)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(CC1)C2=C(C=CC(=C2)Cl)C)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H34ClN3O2/c1-5-6-18(21(24)27)19(13-15(2)3)22(28)26-11-9-25(10-12-26)20-14-17(23)8-7-16(20)4/h7-8,14-15,18-19H,5-6,9-13H2,1-4H3,(H2,24,27)/t18-,19+/m0/s1