4-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperazin-1-yl]-1-cyclohexyl-2-(2-fluorophenyl)butan-1-amine

Systemtic Name: 4-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperazin-1-yl]-1-cyclohexyl-2-(2-fluorophenyl)butan-1-amine Openeye Name: 4-[4-[(2-bromo-5-methoxy-phenyl)methyl]piperazin-1-yl]-1-cyclohexyl-2-(2-fluorophenyl)butan-1-amine CAS Name: 4-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperazinyl]-1-cyclohexyl-2-(2-fluorophenyl)-1-butanamine IUPAC Name: 4-[4-[(2-bromo-5-methoxyphenyl)methyl]piperazin-1-yl]-1-cyclohexyl-2-(2-fluorophenyl)butan-1-amine Traditional Name: [4-[4-(2-bromo-5-methoxy-benzyl)piperazino]-1-cyclohexyl-2-(2-fluorophenyl)butyl]amine Formula: C28H39BrFN3O MolecularWeight: 532.531163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CN2CCN(CC2)CCC(C3=CC=CC=C3F)C(C4CCCCC4)N

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CN2CCN(CC2)CCC(C3=CC=CC=C3F)C(C4CCCCC4)N

InChI

InChI=1S/C28H39BrFN3O/c1-34-23-11-12-26(29)22(19-23)20-33-17-15-32(16-18-33)14-13-25(24-9-5-6-10-27(24)30)28(31)21-7-3-2-4-8-21/h5-6,9-12,19,21,25,28H,2-4,7-8,13-18,20,31H2,1H3