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

Systemtic Name: ethanedioic acid; (4-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-[(2-methoxy-1-naphthyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: (4-fluorophenyl)-[4-[(2-methoxy-1-naphthalenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (4-fluorophenyl)-[4-[(2-methoxy-1-naphthyl)methyl]piperazino]methanone; oxalic acid Formula: C25H25FN2O6 MolecularWeight: 468.474203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H23FN2O2.C2H2O4/c1-28-22-11-8-17-4-2-3-5-20(17)21(22)16-25-12-14-26(15-13-25)23(27)18-6-9-19(24)10-7-18;3-1(4)2(5)6/h2-11H,12-16H2,1H3;(H,3,4)(H,5,6)