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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC(=CC=C4)F

InChI

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