4-(oxan-2-yloxy)-1-[1-(triphenylmethyl)imidazol-4-yl]but-2-yn-1-one

Systemtic Name: 4-(oxan-2-yloxy)-1-[1-(triphenylmethyl)imidazol-4-yl]but-2-yn-1-one Openeye Name: 4-tetrahydropyran-2-yloxy-1-(1-tritylimidazol-4-yl)but-2-yn-1-one CAS Name: 4-(2-oxanyloxy)-1-[1-(triphenylmethyl)-4-imidazolyl]-2-butyn-1-one IUPAC Name: 4-(oxan-2-yloxy)-1-(1-tritylimidazol-4-yl)but-2-yn-1-one Traditional Name: 4-tetrahydropyran-2-yloxy-1-(1-tritylimidazol-4-yl)but-2-yn-1-one Formula: C31H28N2O3 MolecularWeight: 476.56562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC#CC(=O)C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCOC(C1)OCC#CC(=O)C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H28N2O3/c34-29(19-12-22-36-30-20-10-11-21-35-30)28-23-33(24-32-28)31(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-9,13-18,23-24,30H,10-11,20-22H2