(2R,3R)-2-cyclohexyl-3-(2-fluorophenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-amine

Systemtic Name: (2R,3R)-2-cyclohexyl-3-(2-fluorophenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-amine Openeye Name: (2R,3R)-2-cyclohexyl-3-(2-fluorophenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-amine CAS Name: (2R,3R)-2-cyclohexyl-3-(2-fluorophenyl)-5-[4-(2-methoxyphenyl)-1-piperazinyl]-1-pentanamine IUPAC Name: (2R,3R)-2-cyclohexyl-3-(2-fluorophenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-amine Traditional Name: [(2R,3R)-2-cyclohexyl-3-(2-fluorophenyl)-5-[4-(2-methoxyphenyl)piperazino]pentyl]amine Formula: C28H40FN3O MolecularWeight: 453.635103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3F)C(CN)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC[C@@H](C3=CC=CC=C3F)[C@H](CN)C4CCCCC4

InChI

InChI=1S/C28H40FN3O/c1-33-28-14-8-7-13-27(28)32-19-17-31(18-20-32)16-15-23(24-11-5-6-12-26(24)29)25(21-30)22-9-3-2-4-10-22/h5-8,11-14,22-23,25H,2-4,9-10,15-21,30H2,1H3/t23-,25+/m0/s1