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

Systemtic Name: 2-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonyl-1-(2-methoxyethyl)pyrrol-2-yl]-1H-quinazolin-4-one Openeye Name: 2-[4-(5-fluoro-2-hydroxy-benzoyl)-1-(2-methoxyethyl)pyrrol-2-yl]-1H-quinazolin-4-one CAS Name: 2-[4-[(5-fluoro-2-hydroxyphenyl)-oxomethyl]-1-(2-methoxyethyl)-2-pyrrolyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-(5-fluoro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrrol-2-yl]-1H-quinazolin-4-one Traditional Name: 2-[4-(5-fluoro-2-hydroxy-benzoyl)-1-(2-methoxyethyl)pyrrol-2-yl]-1H-quinazolin-4-one Formula: C22H18FN3O4 MolecularWeight: 407.394423

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=C(C=C1C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(C=CC(=C4)F)O

Isomeric SMILES

COCCN1C=C(C=C1C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(C=CC(=C4)F)O

InChI

InChI=1S/C22H18FN3O4/c1-30-9-8-26-12-13(20(28)16-11-14(23)6-7-19(16)27)10-18(26)21-24-17-5-3-2-4-15(17)22(29)25-21/h2-7,10-12,27H,8-9H2,1H3,(H,24,25,29)