1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-chloranyl-propan-2-ol hydrate

Systemtic Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-chloranyl-propan-2-ol hydrate Openeye Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-chloro-propan-2-ol hydrate CAS Name: 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-1-chloro-2-propanol hydrate IUPAC Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-chloropropan-2-ol hydrate Traditional Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazino]-1-chloro-propan-2-ol hydrate Formula: C20H25ClF2N2O2 MolecularWeight: 398.874506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(N1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)Cl)O.O

Isomeric SMILES

CC(C(N1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)Cl)O.O

InChI

InChI=1S/C20H23ClF2N2O.H2O/c1-14(26)20(21)25-12-10-24(11-13-25)19(15-2-6-17(22)7-3-15)16-4-8-18(23)9-5-16;/h2-9,14,19-20,26H,10-13H2,1H3;1H2