[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-bromanyl-4-fluoranyl-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-bromanyl-4-fluoranyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-bromo-4-fluoro-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-bromo-4-fluorophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-bromo-4-fluorophenyl)methanone Traditional Name: (2-bromo-4-fluoro-phenyl)-(4-piperonylpiperazino)methanone Formula: C19H18BrFN2O3 MolecularWeight: 421.260223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)F)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)F)Br

InChI

InChI=1S/C19H18BrFN2O3/c20-16-10-14(21)2-3-15(16)19(24)23-7-5-22(6-8-23)11-13-1-4-17-18(9-13)26-12-25-17/h1-4,9-10H,5-8,11-12H2