5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-(3,3-dimethyl-2-oxo-butoxy)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-(3,3-dimethyl-2-oxobutoxy)-2-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-(3,3-dimethyl-2-oxobutoxy)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 2-[[4-(4-fluorophenyl)piperazino]methyl]-5-(2-keto-3,3-dimethyl-butoxy)pyran-4-one Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC1=COC(=CC1=O)CN2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)COC1=COC(=CC1=O)CN2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O4/c1-22(2,3)21(27)15-29-20-14-28-18(12-19(20)26)13-24-8-10-25(11-9-24)17-6-4-16(23)5-7-17/h4-7,12,14H,8-11,13,15H2,1-3H3