ethanedioic acid; (2-fluorophenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (2-fluorophenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(2-fluorophenyl)methanone; oxalic acid CAS Name: (2-fluorophenyl)-[4-(phenylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-benzylpiperazin-1-yl)-(2-fluorophenyl)methanone; oxalic acid Traditional Name: (4-benzylpiperazino)-(2-fluorophenyl)methanone; oxalic acid Formula: C20H21FN2O5 MolecularWeight: 388.389543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19FN2O.C2H2O4/c19-17-9-5-4-8-16(17)18(22)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15;3-1(4)2(5)6/h1-9H,10-14H2;(H,3,4)(H,5,6)