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

Systemtic Name: (2S,3R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-5-methyl-2-propyl-hexanamide Openeye Name: (2S,3R)-3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide CAS Name: (2S,3R)-3-[[4-(3,4-dichlorophenyl)-1-piperazinyl]-oxomethyl]-5-methyl-2-propylhexanamide IUPAC Name: (2S,3R)-3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-5-methyl-2-propylhexanamide Traditional Name: (2S,3R)-3-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide Formula: C21H31Cl2N3O2 MolecularWeight: 428.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31Cl2N3O2/c1-4-5-16(20(24)27)17(12-14(2)3)21(28)26-10-8-25(9-11-26)15-6-7-18(22)19(23)13-15/h6-7,13-14,16-17H,4-5,8-12H2,1-3H3,(H2,24,27)/t16-,17+/m0/s1