ethanedioic acid; 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methyl-butan-1-one

Systemtic Name: ethanedioic acid; 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-1-piperidyl]-3-methyl-butan-1-one; oxalic acid CAS Name: 1-[4-[4-(2-fluorophenyl)-1-piperazinyl]-1-piperidinyl]-3-methyl-1-butanone; oxalic acid IUPAC Name: 1-[4-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylbutan-1-one; oxalic acid Traditional Name: 1-[4-[4-(2-fluorophenyl)piperazino]piperidino]-3-methyl-butan-1-one; oxalic acid Formula: C22H32FN3O5 MolecularWeight: 437.504983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3F.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30FN3O.C2H2O4/c1-16(2)15-20(25)24-9-7-17(8-10-24)22-11-13-23(14-12-22)19-6-4-3-5-18(19)21;3-1(4)2(5)6/h3-6,16-17H,7-15H2,1-2H3;(H,3,4)(H,5,6)