1-phenyl-3-[1-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-yn-1-one

Systemtic Name: 1-phenyl-3-[1-(phenylmethyl)-1,2,3-triazol-4-yl]prop-2-yn-1-one Openeye Name: 3-(1-benzyltriazol-4-yl)-1-phenyl-prop-2-yn-1-one CAS Name: 1-phenyl-3-[1-(phenylmethyl)-4-triazolyl]-2-propyn-1-one IUPAC Name: 3-(1-benzyltriazol-4-yl)-1-phenylprop-2-yn-1-one Traditional Name: 3-(1-benzyltriazol-4-yl)-1-phenyl-prop-2-yn-1-one Formula: C18H13N3O MolecularWeight: 287.31532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(N=N2)C#CC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(N=N2)C#CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13N3O/c22-18(16-9-5-2-6-10-16)12-11-17-14-21(20-19-17)13-15-7-3-1-4-8-15/h1-10,14H,13H2