2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C22H25FN3O4+ MolecularWeight: 414.450003

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F)OC1

InChI

InChI=1S/C22H24FN3O4/c23-17-3-1-4-18(14-17)24-21(27)15-25-7-9-26(10-8-25)22(28)16-5-6-19-20(13-16)30-12-2-11-29-19/h1,3-6,13-14H,2,7-12,15H2,(H,24,27)/p+1