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

Systemtic Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Openeye Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one CAS Name: 1-[4-(4-fluorophenyl)-1-piperazinyl]-3-[2-(4-methoxyphenyl)-1-azepanyl]-1-propanone IUPAC Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Traditional Name: 1-[4-(4-fluorophenyl)piperazino]-3-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Formula: C26H34FN3O2 MolecularWeight: 439.565463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H34FN3O2/c1-32-24-12-6-21(7-13-24)25-5-3-2-4-15-29(25)16-14-26(31)30-19-17-28(18-20-30)23-10-8-22(27)9-11-23/h6-13,25H,2-5,14-20H2,1H3