1-[4-[3,4-bis(fluoranyl)phenyl]-5-[1-[4-(phenylmethyl)piperidin-1-yl]propyl]-1,2,4-triazol-3-yl]cyclohexan-1-ol

Systemtic Name: 1-[4-[3,4-bis(fluoranyl)phenyl]-5-[1-[4-(phenylmethyl)piperidin-1-yl]propyl]-1,2,4-triazol-3-yl]cyclohexan-1-ol Openeye Name: 1-[5-[1-(4-benzyl-1-piperidyl)propyl]-4-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]cyclohexanol CAS Name: 1-[4-(3,4-difluorophenyl)-5-[1-[4-(phenylmethyl)-1-piperidinyl]propyl]-1,2,4-triazol-3-yl]-1-cyclohexanol IUPAC Name: 1-[5-[1-(4-benzylpiperidin-1-yl)propyl]-4-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]cyclohexan-1-ol Traditional Name: 1-[5-[1-(4-benzylpiperidino)propyl]-4-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]cyclohexanol Formula: C29H36F2N4O MolecularWeight: 494.619146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1C2=CC(=C(C=C2)F)F)C3(CCCCC3)O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC(C1=NN=C(N1C2=CC(=C(C=C2)F)F)C3(CCCCC3)O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H36F2N4O/c1-2-26(34-17-13-22(14-18-34)19-21-9-5-3-6-10-21)27-32-33-28(29(36)15-7-4-8-16-29)35(27)23-11-12-24(30)25(31)20-23/h3,5-6,9-12,20,22,26,36H,2,4,7-8,13-19H2,1H3