N-[2-[4-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(2-chloro-6-fluoro-benzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(2-chloro-6-fluorophenyl)-oxomethyl]-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(2-chloro-6-fluoro-benzoyl)piperazino]ethyl]-piperonylamide Formula: C21H21ClFN3O4 MolecularWeight: 433.860543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H21ClFN3O4/c22-15-2-1-3-16(23)19(15)21(28)26-10-8-25(9-11-26)7-6-24-20(27)14-4-5-17-18(12-14)30-13-29-17/h1-5,12H,6-11,13H2,(H,24,27)