1-[(4-fluorophenyl)methyl]-1,4-diazepane hydrate dihydrochloride

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1,4-diazepane hydrate dihydrochloride Openeye Name: 1-[(4-fluorophenyl)methyl]-1,4-diazepane hydrate dihydrochloride CAS Name: 1-[(4-fluorophenyl)methyl]-1,4-diazepane hydrate dihydrochloride IUPAC Name: 1-[(4-fluorophenyl)methyl]-1,4-diazepane hydrate dihydrochloride Traditional Name: 1-(4-fluorobenzyl)-1,4-diazepane hydrate dihydrochloride Formula: C12H21Cl2FN2O MolecularWeight: 299.212343

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC2=CC=C(C=C2)F.O.Cl.Cl

Isomeric SMILES

C1CNCCN(C1)CC2=CC=C(C=C2)F.O.Cl.Cl

InChI

InChI=1S/C12H17FN2.2ClH.H2O/c13-12-4-2-11(3-5-12)10-15-8-1-6-14-7-9-15;;;/h2-5,14H,1,6-10H2;2*1H;1H2