1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-3-fluoranyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-3-fluorophenyl]ethanone IUPAC Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone Traditional Name: 1-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-3-fluoro-phenyl]ethanone Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)F

InChI

InChI=1S/C21H21FN2O4/c1-14(25)15-6-7-17(16(22)12-15)23-8-10-24(11-9-23)21(26)20-13-27-18-4-2-3-5-19(18)28-20/h2-7,12,20H,8-11,13H2,1H3