N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C23H26FN3O4 MolecularWeight: 427.468643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCCCO4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCCCO4)F

InChI

InChI=1S/C23H26FN3O4/c1-16(28)17-3-5-20(19(24)13-17)27-9-7-26(8-10-27)15-23(29)25-18-4-6-21-22(14-18)31-12-2-11-30-21/h3-6,13-14H,2,7-12,15H2,1H3,(H,25,29)