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

Systemtic Name: 2-[4-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-[2-(4-fluorophenyl)-2-hydroxy-ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[4-[2-(4-fluorophenyl)-2-hydroxy-ethyl]piperazino]cyclohepta-2,4,6-trien-1-one Formula: C19H21FN2O2 MolecularWeight: 328.380643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C2=CC=C(C=C2)F)O)C3=CC=CC=CC3=O

Isomeric SMILES

C1CN(CCN1CC(C2=CC=C(C=C2)F)O)C3=CC=CC=CC3=O

InChI

InChI=1S/C19H21FN2O2/c20-16-8-6-15(7-9-16)19(24)14-21-10-12-22(13-11-21)17-4-2-1-3-5-18(17)23/h1-9,19,24H,10-14H2