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

Systemtic Name: ethanedioic acid; (4-fluorophenyl)-[4-(4-phenylbutyl)piperazin-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-(4-phenylbutyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (4-fluorophenyl)-[4-(4-phenylbutyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-fluorophenyl)-[4-(4-phenylbutyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (4-fluorophenyl)-[4-(4-phenylbutyl)piperazino]methanone; oxalic acid Formula: C23H27FN2O5 MolecularWeight: 430.469283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25FN2O.C2H2O4/c22-20-11-9-19(10-12-20)21(25)24-16-14-23(15-17-24)13-5-4-8-18-6-2-1-3-7-18;3-1(4)2(5)6/h1-3,6-7,9-12H,4-5,8,13-17H2;(H,3,4)(H,5,6)