1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(2-methoxy-5-methyl-phenyl)butane-1,4-dione

Systemtic Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(2-methoxy-5-methyl-phenyl)butane-1,4-dione Openeye Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(2-methoxy-5-methyl-phenyl)butane-1,4-dione CAS Name: 1-[4-(4-fluorophenyl)-1-piperazinyl]-4-(2-methoxy-5-methylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(2-methoxy-5-methylphenyl)butane-1,4-dione Traditional Name: 1-[4-(4-fluorophenyl)piperazino]-4-(2-methoxy-5-methyl-phenyl)butane-1,4-dione Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O3/c1-16-3-9-21(28-2)19(15-16)20(26)8-10-22(27)25-13-11-24(12-14-25)18-6-4-17(23)5-7-18/h3-7,9,15H,8,10-14H2,1-2H3