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

Systemtic Name: (2S,3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-5-methyl-2-propyl-hexanamide Openeye Name: (2S,3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-5-methyl-2-propyl-hexanamide CAS Name: (2S,3R)-3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-5-methyl-2-propylhexanamide IUPAC Name: (2S,3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-5-methyl-2-propylhexanamide Traditional Name: (2S,3R)-5-methyl-3-(4-piperonylpiperazine-1-carbonyl)-2-propyl-hexanamide Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C(=O)N

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)C)C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C(=O)N

InChI

InChI=1S/C23H35N3O4/c1-4-5-18(22(24)27)19(12-16(2)3)23(28)26-10-8-25(9-11-26)14-17-6-7-20-21(13-17)30-15-29-20/h6-7,13,16,18-19H,4-5,8-12,14-15H2,1-3H3,(H2,24,27)/t18-,19+/m0/s1