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

Systemtic Name: N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-(2-fluorobenzoyl)piperazino]phenyl]-piperonylamide Formula: C25H22FN3O4 MolecularWeight: 447.458283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C25H22FN3O4/c26-21-4-2-1-3-20(21)25(31)29-13-11-28(12-14-29)19-8-6-18(7-9-19)27-24(30)17-5-10-22-23(15-17)33-16-32-22/h1-10,15H,11-14,16H2,(H,27,30)