1-[(3-fluorophenyl)methyl]-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]azepan-2-one

Systemtic Name: 1-[(3-fluorophenyl)methyl]-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]azepan-2-one Openeye Name: 1-[(3-fluorophenyl)methyl]-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]azepan-2-one CAS Name: 1-[(3-fluorophenyl)methyl]-5-[4-[(2-methoxyphenyl)methyl]-1-piperazinyl]-2-azepanone IUPAC Name: 1-[(3-fluorophenyl)methyl]-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]azepan-2-one Traditional Name: 1-(3-fluorobenzyl)-5-(4-o-anisylpiperazino)azepan-2-one Formula: C25H32FN3O2 MolecularWeight: 425.538883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=CC=C1CN2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H32FN3O2/c1-31-24-8-3-2-6-21(24)19-27-13-15-28(16-14-27)23-9-10-25(30)29(12-11-23)18-20-5-4-7-22(26)17-20/h2-8,17,23H,9-16,18-19H2,1H3