N-[2-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(4-hydroxybenzoyl)piperazino]-2-keto-ethyl]-piperonylamide Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CCN1C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H21N3O6/c25-16-4-1-14(2-5-16)21(28)24-9-7-23(8-10-24)19(26)12-22-20(27)15-3-6-17-18(11-15)30-13-29-17/h1-6,11,25H,7-10,12-13H2,(H,22,27)