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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClN3O2/c1-4-6-18(20(23)26)19(13-15(2)3)21(27)25-11-9-24(10-12-25)17-8-5-7-16(22)14-17/h5,7-8,14-15,18-19H,4,6,9-13H2,1-3H3,(H2,23,26)/t18-,19+/m0/s1