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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1N2CCN(CC2)CC3=CC(=CC=C3)F)CCOC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(CCC1N2CCN(CC2)CC3=CC(=CC=C3)F)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H32FN3O2/c26-22-6-4-5-21(19-22)20-27-13-15-28(16-14-27)23-9-10-25(30)29(12-11-23)17-18-31-24-7-2-1-3-8-24/h1-8,19,23H,9-18,20H2