2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4H-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-[[4-(2-fluorophenyl)piperazino]methyl]-4H-1,3,4-benzoxadiazepin-5-one Formula: C19H19FN4O2 MolecularWeight: 354.378163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NNC(=O)C3=CC=CC=C3O2)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1CC2=NNC(=O)C3=CC=CC=C3O2)C4=CC=CC=C4F

InChI

InChI=1S/C19H19FN4O2/c20-15-6-2-3-7-16(15)24-11-9-23(10-12-24)13-18-21-22-19(25)14-5-1-4-8-17(14)26-18/h1-8H,9-13H2,(H,22,25)