N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-isovalerylpiperazino)acetamide Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C20H27N3O5/c1-13(2)8-20(26)23-6-4-22(5-7-23)11-19(25)21-16-10-18-17(27-12-28-18)9-15(16)14(3)24/h9-10,13H,4-8,11-12H2,1-3H3,(H,21,25)