7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenylmethoxy-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenylmethoxy-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-benzyloxy-7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-4-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 7-[[4-(3-fluorophenyl)-1-piperazinyl]methyl]-2-phenylmethoxy-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenylmethoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-benzoxy-7-[[4-(3-fluorophenyl)piperazino]methyl]-4-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C28H31FN2O2 MolecularWeight: 446.556343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)OCC2=CC=CC=C2)CN3CCN(CC3)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)OCC2=CC=CC=C2)CN3CCN(CC3)C4=CC(=CC=C4)F

InChI

InChI=1S/C28H31FN2O2/c1-21(2)23-11-12-24(28(32)27(17-23)33-20-22-7-4-3-5-8-22)19-30-13-15-31(16-14-30)26-10-6-9-25(29)18-26/h3-12,17-18,21H,13-16,19-20H2,1-2H3