N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(4-isovalerylpiperazino)ethyl]-piperonylamide Formula: C19H27N3O4 MolecularWeight: 361.43538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H27N3O4/c1-14(2)11-18(23)22-9-7-21(8-10-22)6-5-20-19(24)15-3-4-16-17(12-15)26-13-25-16/h3-4,12,14H,5-11,13H2,1-2H3,(H,20,24)