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

Systemtic Name: (2S,3R)-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]carbonyl-5-methyl-2-propyl-hexanamide Openeye Name: (2S,3R)-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide CAS Name: (2S,3R)-3-[[4-(3,4-dimethylphenyl)-1-piperazinyl]-oxomethyl]-5-methyl-2-propylhexanamide IUPAC Name: (2S,3R)-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-2-propylhexanamide Traditional Name: (2S,3R)-3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide Formula: C23H37N3O2 MolecularWeight: 387.55878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O2/c1-6-7-20(22(24)27)21(14-16(2)3)23(28)26-12-10-25(11-13-26)19-9-8-17(4)18(5)15-19/h8-9,15-16,20-21H,6-7,10-14H2,1-5H3,(H2,24,27)/t20-,21+/m0/s1