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

Systemtic Name: ethanedioic acid; [1-[(4-fluorophenyl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(4-fluorophenyl)methyl]-4-piperidyl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid CAS Name: [1-[(4-fluorophenyl)methyl]-4-piperidinyl]-(4-phenyl-1-piperazinyl)methanone; oxalic acid IUPAC Name: [1-[(4-fluorophenyl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid Traditional Name: [1-(4-fluorobenzyl)-4-piperidyl]-(4-phenylpiperazino)methanone; oxalic acid Formula: C25H30FN3O5 MolecularWeight: 471.521203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28FN3O.C2H2O4/c24-21-8-6-19(7-9-21)18-25-12-10-20(11-13-25)23(28)27-16-14-26(15-17-27)22-4-2-1-3-5-22;3-1(4)2(5)6/h1-9,20H,10-18H2;(H,3,4)(H,5,6)