5-[4-(4-ethanoylphenyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]azepan-2-one

Systemtic Name: 5-[4-(4-ethanoylphenyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]azepan-2-one Openeye Name: 5-[4-(4-acetylphenyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]azepan-2-one CAS Name: 5-[4-(4-acetylphenyl)-1-piperazinyl]-1-[(4-fluorophenyl)methyl]-2-azepanone IUPAC Name: 5-[4-(4-acetylphenyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]azepan-2-one Traditional Name: 5-[4-(4-acetylphenyl)piperazino]-1-(4-fluorobenzyl)azepan-2-one Formula: C25H30FN3O2 MolecularWeight: 423.523003

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN3O2/c1-19(30)21-4-8-23(9-5-21)27-14-16-28(17-15-27)24-10-11-25(31)29(13-12-24)18-20-2-6-22(26)7-3-20/h2-9,24H,10-18H2,1H3