1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-[2-(4-methoxyphenyl)azepan-1-yl]ethanone

Systemtic Name: 1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-[2-(4-methoxyphenyl)azepan-1-yl]ethanone Openeye Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-[2-(4-methoxyphenyl)azepan-1-yl]ethanone CAS Name: 1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-[2-(4-methoxyphenyl)-1-azepanyl]ethanone IUPAC Name: 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenyl)azepan-1-yl]ethanone Traditional Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-[2-(4-methoxyphenyl)azepan-1-yl]ethanone Formula: C27H34FN3O3 MolecularWeight: 467.575563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3CCCCCC3C4=CC=C(C=C4)OC)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3CCCCCC3C4=CC=C(C=C4)OC)F

InChI

InChI=1S/C27H34FN3O3/c1-20(32)22-9-12-26(24(28)18-22)29-14-16-30(17-15-29)27(33)19-31-13-5-3-4-6-25(31)21-7-10-23(34-2)11-8-21/h7-12,18,25H,3-6,13-17,19H2,1-2H3