1-[(2-fluorophenyl)methyl]-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)azepan-2-one

Systemtic Name: 1-[(2-fluorophenyl)methyl]-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)azepan-2-one Openeye Name: 1-[(2-fluorophenyl)methyl]-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]azepan-2-one CAS Name: 1-[(2-fluorophenyl)methyl]-5-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-azepanone IUPAC Name: 1-[(2-fluorophenyl)methyl]-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]azepan-2-one Traditional Name: 1-(2-fluorobenzyl)-5-[4-(2-thenoyl)piperazino]azepan-2-one Formula: C22H26FN3O2S MolecularWeight: 415.524143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1N2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC=C4F

Isomeric SMILES

C1CC(=O)N(CCC1N2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H26FN3O2S/c23-19-5-2-1-4-17(19)16-26-10-9-18(7-8-21(26)27)24-11-13-25(14-12-24)22(28)20-6-3-15-29-20/h1-6,15,18H,7-14,16H2