3-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 3-[[4-(3-fluorophenyl)-1-piperazinyl]methyl]-2-hydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 3-[[4-(3-fluorophenyl)piperazino]methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C21H25FN2O2 MolecularWeight: 356.433803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)C3=CC(=CC=C3)F)O

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)C3=CC(=CC=C3)F)O

InChI

InChI=1S/C21H25FN2O2/c1-15(2)16-6-7-17(21(26)20(25)12-16)14-23-8-10-24(11-9-23)19-5-3-4-18(22)13-19/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,25,26)