4'-(2-phenyl-3,5-dihydro-[1,2,4]triazolo[5,1-e][1,2,3,4]tetrazol-6-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one

Systemtic Name: 4'-(2-phenyl-3,5-dihydro-[1,2,4]triazolo[5,1-e][1,2,3,4]tetrazol-6-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-(2-phenyl-3,5-dihydro-[1,2,4]triazolo[5,1-e]tetrazol-6-yl)spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-(2-phenyl-3,5-dihydro-[1,2,4]triazolo[5,1-e]tetrazol-6-yl)-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-(2-phenyl-3,5-dihydro-[1,2,4]triazolo[5,1-e]tetrazol-6-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-(2-phenyl-3,5-dihydro-[1,2,4]triazolo[5,1-e]tetrazol-6-yl)spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C21H20N6O2 MolecularWeight: 388.4225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C3=NC4=NN(NN4N3)C5=CC=CC=C5)C6=CC=CC=C6C(=O)O2

Isomeric SMILES

C1CC2(CCC1C3=NC4=NN(NN4N3)C5=CC=CC=C5)C6=CC=CC=C6C(=O)O2

InChI

InChI=1S/C21H20N6O2/c28-19-16-8-4-5-9-17(16)21(29-19)12-10-14(11-13-21)18-22-20-24-26(25-27(20)23-18)15-6-2-1-3-7-15/h1-9,14,25H,10-13H2,(H,22,23,24)