6-[2-(2,6-dimethoxyphenyl)ethynyl]-1H-quinazolin-4-one

Systemtic Name: 6-[2-(2,6-dimethoxyphenyl)ethynyl]-1H-quinazolin-4-one Openeye Name: 6-[2-(2,6-dimethoxyphenyl)ethynyl]-1H-quinazolin-4-one CAS Name: 6-[2-(2,6-dimethoxyphenyl)ethynyl]-1H-quinazolin-4-one IUPAC Name: 6-[2-(2,6-dimethoxyphenyl)ethynyl]-1H-quinazolin-4-one Traditional Name: 6-[2-(2,6-dimethoxyphenyl)ethynyl]-1H-quinazolin-4-one Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C#CC2=CC3=C(C=C2)NC=NC3=O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C#CC2=CC3=C(C=C2)NC=NC3=O

InChI

InChI=1S/C18H14N2O3/c1-22-16-4-3-5-17(23-2)13(16)8-6-12-7-9-15-14(10-12)18(21)20-11-19-15/h3-5,7,9-11H,1-2H3,(H,19,20,21)