2-(4-ethynylphenyl)-1H-quinazolin-4-one

Systemtic Name: 2-(4-ethynylphenyl)-1H-quinazolin-4-one Openeye Name: 2-(4-ethynylphenyl)-1H-quinazolin-4-one CAS Name: 2-(4-ethynylphenyl)-1H-quinazolin-4-one IUPAC Name: 2-(4-ethynylphenyl)-1H-quinazolin-4-one Traditional Name: 2-(4-ethynylphenyl)-1H-quinazolin-4-one Formula: C16H10N2O MolecularWeight: 246.2634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C#CC1=CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H10N2O/c1-2-11-7-9-12(10-8-11)15-17-14-6-4-3-5-13(14)16(19)18-15/h1,3-10H,(H,17,18,19)