3-[3-(3-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[3-(3-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzenecarbonitrile Openeye Name: 3-[3-(3-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzonitrile CAS Name: 3-[3-(3-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzonitrile IUPAC Name: 3-[3-(3-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzonitrile Traditional Name: 3-[3-(3-fluorophenyl)-4-keto-1,2-dihydroquinazolin-2-yl]benzonitrile Formula: C21H14FN3O MolecularWeight: 343.353763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=CC(=C3)C#N)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=CC(=C3)C#N)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H14FN3O/c22-16-7-4-8-17(12-16)25-20(15-6-3-5-14(11-15)13-23)24-19-10-2-1-9-18(19)21(25)26/h1-12,20,24H