[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-fluoranylbenzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-fluoranylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H12FN3O3 MolecularWeight: 337.304583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12FN3O3/c19-13-5-3-4-12(10-13)18(24)25-11-16-21-15-7-2-1-6-14(15)17(23)22(16)9-8-20/h1-7,10H,9,11H2