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

Systemtic Name: N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(2-ethylbutanoyl)piperazino]ethyl]-piperonylamide Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4/c1-3-15(4-2)20(25)23-11-9-22(10-12-23)8-7-21-19(24)16-5-6-17-18(13-16)27-14-26-17/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,21,24)