6-chloranyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]chromen-4-one; ethanedioic acid

Systemtic Name: 6-chloranyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]chromen-4-one; ethanedioic acid Openeye Name: 6-chloro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]chromen-4-one; oxalic acid CAS Name: 6-chloro-3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-1-benzopyran-4-one; oxalic acid IUPAC Name: 6-chloro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]chromen-4-one; oxalic acid Traditional Name: 6-chloro-3-[[4-(2-fluorophenyl)piperazino]methyl]chromone; oxalic acid Formula: C22H20ClFN2O6 MolecularWeight: 462.855403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=COC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC=C4F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=COC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC=C4F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H18ClFN2O2.C2H2O4/c21-15-5-6-19-16(11-15)20(25)14(13-26-19)12-23-7-9-24(10-8-23)18-4-2-1-3-17(18)22;3-1(4)2(5)6/h1-6,11,13H,7-10,12H2;(H,3,4)(H,5,6)