1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,4-diazepane dihydrochloride

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,4-diazepane dihydrochloride Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-1,4-diazepane dihydrochloride CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane dihydrochloride IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane dihydrochloride Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-1,4-diazepane dihydrochloride Formula: C12H18Cl3FN2 MolecularWeight: 315.642123

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC2=C(C=CC=C2Cl)F.Cl.Cl

Isomeric SMILES

C1CNCCN(C1)CC2=C(C=CC=C2Cl)F.Cl.Cl

InChI

InChI=1S/C12H16ClFN2.2ClH/c13-11-3-1-4-12(14)10(11)9-16-7-2-5-15-6-8-16;;/h1,3-4,15H,2,5-9H2;2*1H