[4-[3-(4-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-methoxy-phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[3-(4-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-methoxy-phenyl] pyridine-3-carboxylate Openeye Name: [4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl] ester IUPAC Name: [4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[3-(4-fluorophenyl)-4-keto-1,2-dihydroquinazolin-2-yl]-2-methoxy-phenyl] ester Formula: C27H20FN3O4 MolecularWeight: 469.463803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)OC(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)OC(=O)C5=CN=CC=C5

InChI

InChI=1S/C27H20FN3O4/c1-34-24-15-17(8-13-23(24)35-27(33)18-5-4-14-29-16-18)25-30-22-7-3-2-6-21(22)26(32)31(25)20-11-9-19(28)10-12-20/h2-16,25,30H,1H3