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

Systemtic Name: N-[2-[4-(2-iodanylphenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(2-iodobenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(2-iodophenyl)-oxomethyl]-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(2-iodobenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(2-iodobenzoyl)piperazino]ethyl]-piperonylamide Formula: C21H22IN3O4 MolecularWeight: 507.32155

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4I

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4I

InChI

InChI=1S/C21H22IN3O4/c22-17-4-2-1-3-16(17)21(27)25-11-9-24(10-12-25)8-7-23-20(26)15-5-6-18-19(13-15)29-14-28-18/h1-6,13H,7-12,14H2,(H,23,26)