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

Systemtic Name: 2-[1-methyl-4-(5-methyl-2-oxidanyl-phenyl)carbonyl-pyrrol-2-yl]-1H-quinazolin-4-one Openeye Name: 2-[4-(2-hydroxy-5-methyl-benzoyl)-1-methyl-pyrrol-2-yl]-1H-quinazolin-4-one CAS Name: 2-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-methyl-2-pyrrolyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-(2-hydroxy-5-methylbenzoyl)-1-methylpyrrol-2-yl]-1H-quinazolin-4-one Traditional Name: 2-[4-(2-hydroxy-5-methyl-benzoyl)-1-methyl-pyrrol-2-yl]-1H-quinazolin-4-one Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=C2)C3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=C2)C3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C21H17N3O3/c1-12-7-8-18(25)15(9-12)19(26)13-10-17(24(2)11-13)20-22-16-6-4-3-5-14(16)21(27)23-20/h3-11,25H,1-2H3,(H,22,23,27)