3-[5-[(1S)-1-(diphenoxyphosphorylmethylamino)-4-(2-fluorophenyl)but-3-ynyl]-1,2,3,4-tetrazol-1-yl]propanenitrile

Systemtic Name: 3-[5-[(1S)-1-(diphenoxyphosphorylmethylamino)-4-(2-fluorophenyl)but-3-ynyl]-1,2,3,4-tetrazol-1-yl]propanenitrile Openeye Name: 3-[5-[(1S)-1-(diphenoxyphosphorylmethylamino)-4-(2-fluorophenyl)but-3-ynyl]tetrazol-1-yl]propanenitrile CAS Name: 3-[5-[(1S)-1-(diphenoxyphosphorylmethylamino)-4-(2-fluorophenyl)but-3-ynyl]-1-tetrazolyl]propanenitrile IUPAC Name: 3-[5-[(1S)-1-(diphenoxyphosphorylmethylamino)-4-(2-fluorophenyl)but-3-ynyl]tetrazol-1-yl]propanenitrile Traditional Name: 3-[5-[(1S)-1-(diphenoxyphosphorylmethylamino)-4-(2-fluorophenyl)but-3-ynyl]tetrazol-1-yl]propionitrile Formula: C27H24FN6O3P MolecularWeight: 530.490024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(CNC(CC#CC2=CC=CC=C2F)C3=NN=NN3CCC#N)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(CN[C@@H](CC#CC2=CC=CC=C2F)C3=NN=NN3CCC#N)OC4=CC=CC=C4

InChI

InChI=1S/C27H24FN6O3P/c28-25-17-8-7-11-22(25)12-9-18-26(27-31-32-33-34(27)20-10-19-29)30-21-38(35,36-23-13-3-1-4-14-23)37-24-15-5-2-6-16-24/h1-8,11,13-17,26,30H,10,18,20-21H2/t26-/m0/s1