2,4-bis[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-fluoranyl-phenol

Systemtic Name: 2,4-bis[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-fluoranyl-phenol Openeye Name: 2,4-bis[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-fluoro-phenol CAS Name: 2,4-bis[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-5-fluorophenol IUPAC Name: 2,4-bis[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-5-fluorophenol Traditional Name: 2,4-bis[[4-(4-chlorophenyl)piperazino]methyl]-5-fluoro-phenol Formula: C28H31Cl2FN4O MolecularWeight: 529.476343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2O)F)CN3CCN(CC3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2O)F)CN3CCN(CC3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H31Cl2FN4O/c29-23-1-5-25(6-2-23)34-13-9-32(10-14-34)19-21-17-22(28(36)18-27(21)31)20-33-11-15-35(16-12-33)26-7-3-24(30)4-8-26/h1-8,17-18,36H,9-16,19-20H2