ethanedioic acid; (3-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone

Systemtic Name: ethanedioic acid; (3-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)-1-piperidyl]methanone; oxalic acid CAS Name: (3-fluorophenyl)-[4-(4-phenyl-1-piperazinyl)-1-piperidinyl]methanone; oxalic acid IUPAC Name: (3-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone; oxalic acid Traditional Name: (3-fluorophenyl)-[4-(4-phenylpiperazino)piperidino]methanone; oxalic acid Formula: C24H28FN3O5 MolecularWeight: 457.494623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26FN3O.C2H2O4/c23-19-6-4-5-18(17-19)22(27)26-11-9-21(10-12-26)25-15-13-24(14-16-25)20-7-2-1-3-8-20;3-1(4)2(5)6/h1-8,17,21H,9-16H2;(H,3,4)(H,5,6)