N-[6-[4-(2-phenoxyethanoyl)piperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-[4-(2-phenoxyethanoyl)piperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-(1-oxo-2-phenoxyethyl)-1-piperazinyl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-[4-(2-phenoxyacetyl)piperazino]-3-pyridyl]-piperonylamide Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O5/c30-24(16-32-20-4-2-1-3-5-20)29-12-10-28(11-13-29)23-9-7-19(15-26-23)27-25(31)18-6-8-21-22(14-18)34-17-33-21/h1-9,14-15H,10-13,16-17H2,(H,27,31)