2-[2-(3-methylimidazol-4-yl)ethynyl]xanthen-9-one

Systemtic Name: 2-[2-(3-methylimidazol-4-yl)ethynyl]xanthen-9-one Openeye Name: 2-[2-(3-methylimidazol-4-yl)ethynyl]xanthen-9-one CAS Name: 2-[2-(3-methyl-4-imidazolyl)ethynyl]-9-xanthenone IUPAC Name: 2-[2-(3-methylimidazol-4-yl)ethynyl]xanthen-9-one Traditional Name: 2-[2-(3-methylimidazol-4-yl)ethynyl]xanthone Formula: C19H12N2O2 MolecularWeight: 300.31078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C#CC2=CC3=C(C=C2)OC4=CC=CC=C4C3=O

Isomeric SMILES

CN1C=NC=C1C#CC2=CC3=C(C=C2)OC4=CC=CC=C4C3=O

InChI

InChI=1S/C19H12N2O2/c1-21-12-20-11-14(21)8-6-13-7-9-18-16(10-13)19(22)15-4-2-3-5-17(15)23-18/h2-5,7,9-12H,1H3