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

Systemtic Name: N-[2-[4-(2-phenoxyethanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-(1-oxo-2-phenoxyethyl)-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(2-phenoxyacetyl)piperazino]ethyl]-piperonylamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O5/c26-21(15-28-18-4-2-1-3-5-18)25-12-10-24(11-13-25)9-8-23-22(27)17-6-7-19-20(14-17)30-16-29-19/h1-7,14H,8-13,15-16H2,(H,23,27)