ethanedioic acid; (3-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone

Systemtic Name: ethanedioic acid; (3-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone Openeye Name: (3-fluorophenyl)-(4-isopropylpiperazin-1-yl)methanone; oxalic acid CAS Name: (3-fluorophenyl)-(4-propan-2-yl-1-piperazinyl)methanone; oxalic acid IUPAC Name: (3-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone; oxalic acid Traditional Name: (3-fluorophenyl)-(4-isopropylpiperazino)methanone; oxalic acid Formula: C16H21FN2O5 MolecularWeight: 340.346743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19FN2O.C2H2O4/c1-11(2)16-6-8-17(9-7-16)14(18)12-4-3-5-13(15)10-12;3-1(4)2(5)6/h3-5,10-11H,6-9H2,1-2H3;(H,3,4)(H,5,6)