1-(3-fluoranyl-8-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazine dihydrochloride

Systemtic Name: 1-(3-fluoranyl-8-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazine dihydrochloride Openeye Name: 1-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazine dihydrochloride CAS Name: 1-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine dihydrochloride IUPAC Name: 1-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine dihydrochloride Traditional Name: 1-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazine dihydrochloride Formula: C20H25Cl2FN2O MolecularWeight: 399.329703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)F)C(C2)N4CCN(CC4)C.Cl.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)F)C(C2)N4CCN(CC4)C.Cl.Cl

InChI

InChI=1S/C20H23FN2O.2ClH/c1-14-3-5-19-15(11-14)12-18(23-9-7-22(2)8-10-23)17-13-16(21)4-6-20(17)24-19;;/h3-6,11,13,18H,7-10,12H2,1-2H3;2*1H