ethanedioic acid; [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone

Systemtic Name: ethanedioic acid; [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone Openeye Name: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone; oxalic acid CAS Name: [4-[(4-ethylphenyl)methyl]-1-piperazinyl]-(3-fluorophenyl)methanone; oxalic acid IUPAC Name: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone; oxalic acid Traditional Name: [4-(4-ethylbenzyl)piperazino]-(3-fluorophenyl)methanone; oxalic acid Formula: C22H25FN2O5 MolecularWeight: 416.442703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23FN2O.C2H2O4/c1-2-16-6-8-17(9-7-16)15-22-10-12-23(13-11-22)20(24)18-4-3-5-19(21)14-18;3-1(4)2(5)6/h3-9,14H,2,10-13,15H2,1H3;(H,3,4)(H,5,6)