ethanedioic acid; (4-fluorophenyl)-(4-pentan-3-ylpiperazin-1-yl)methanone

Systemtic Name: ethanedioic acid; (4-fluorophenyl)-(4-pentan-3-ylpiperazin-1-yl)methanone Openeye Name: [4-(1-ethylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone; oxalic acid CAS Name: (4-fluorophenyl)-(4-pentan-3-yl-1-piperazinyl)methanone; oxalic acid IUPAC Name: (4-fluorophenyl)-(4-pentan-3-ylpiperazin-1-yl)methanone; oxalic acid Traditional Name: [4-(1-ethylpropyl)piperazino]-(4-fluorophenyl)methanone; oxalic acid Formula: C18H25FN2O5 MolecularWeight: 368.399903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)C(=O)C2=CC=C(C=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)N1CCN(CC1)C(=O)C2=CC=C(C=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23FN2O.C2H2O4/c1-3-15(4-2)18-9-11-19(12-10-18)16(20)13-5-7-14(17)8-6-13;3-1(4)2(5)6/h5-8,15H,3-4,9-12H2,1-2H3;(H,3,4)(H,5,6)