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

Systemtic Name: N-[2-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(5-chloro-2-fluoro-benzoyl)piperazino]-2-keto-ethyl]-piperonylamide Formula: C21H19ClFN3O5 MolecularWeight: 447.844063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClFN3O5/c22-14-2-3-16(23)15(10-14)21(29)26-7-5-25(6-8-26)19(27)11-24-20(28)13-1-4-17-18(9-13)31-12-30-17/h1-4,9-10H,5-8,11-12H2,(H,24,28)