2-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonyl-1-propan-2-yl-pyrrol-2-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonyl-1-propan-2-yl-pyrrol-2-yl]-1H-quinazolin-4-one Openeye Name: 2-[4-(5-fluoro-2-hydroxy-benzoyl)-1-isopropyl-pyrrol-2-yl]-1H-quinazolin-4-one CAS Name: 2-[4-[(5-fluoro-2-hydroxyphenyl)-oxomethyl]-1-propan-2-yl-2-pyrrolyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-(5-fluoro-2-hydroxybenzoyl)-1-propan-2-ylpyrrol-2-yl]-1H-quinazolin-4-one Traditional Name: 2-[4-(5-fluoro-2-hydroxy-benzoyl)-1-isopropyl-pyrrol-2-yl]-1H-quinazolin-4-one Formula: C22H18FN3O3 MolecularWeight: 391.395023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(C=CC(=C4)F)O

Isomeric SMILES

CC(C)N1C=C(C=C1C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(C=CC(=C4)F)O

InChI

InChI=1S/C22H18FN3O3/c1-12(2)26-11-13(20(28)16-10-14(23)7-8-19(16)27)9-18(26)21-24-17-6-4-3-5-15(17)22(29)25-21/h3-12,27H,1-2H3,(H,24,25,29)