3-imidazol-1-yl-1-phenyl-prop-2-yn-1-one

Systemtic Name: 3-imidazol-1-yl-1-phenyl-prop-2-yn-1-one Openeye Name: 3-imidazol-1-yl-1-phenyl-prop-2-yn-1-one CAS Name: 3-(1-imidazolyl)-1-phenyl-2-propyn-1-one IUPAC Name: 3-imidazol-1-yl-1-phenylprop-2-yn-1-one Traditional Name: 3-imidazol-1-yl-1-phenyl-prop-2-yn-1-one Formula: C12H8N2O MolecularWeight: 196.20472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C#CN2C=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C#CN2C=CN=C2

InChI

InChI=1S/C12H8N2O/c15-12(11-4-2-1-3-5-11)6-8-14-9-7-13-10-14/h1-5,7,9-10H