6,8-bis(bromanyl)-2-methyl-3-[[4-[(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)carbonyl]phenyl]methyl]quinazolin-4-one

Systemtic Name: 6,8-bis(bromanyl)-2-methyl-3-[[4-[(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)carbonyl]phenyl]methyl]quinazolin-4-one Openeye Name: 6,8-dibromo-2-methyl-3-[[4-(3-methyl-5-oxo-4H-pyrazole-1-carbonyl)phenyl]methyl]quinazolin-4-one CAS Name: 6,8-dibromo-2-methyl-3-[[4-[(3-methyl-5-oxo-4H-pyrazol-1-yl)-oxomethyl]phenyl]methyl]-4-quinazolinone IUPAC Name: 6,8-dibromo-2-methyl-3-[[4-(3-methyl-5-oxo-4H-pyrazole-1-carbonyl)phenyl]methyl]quinazolin-4-one Traditional Name: 6,8-dibromo-3-[4-(5-keto-3-methyl-2-pyrazoline-1-carbonyl)benzyl]-2-methyl-quinazolin-4-one Formula: C21H16Br2N4O3 MolecularWeight: 532.18474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C(=O)C2=CC=C(C=C2)CN3C(=NC4=C(C=C(C=C4C3=O)Br)Br)C

Isomeric SMILES

CC1=NN(C(=O)C1)C(=O)C2=CC=C(C=C2)CN3C(=NC4=C(C=C(C=C4C3=O)Br)Br)C

InChI

InChI=1S/C21H16Br2N4O3/c1-11-7-18(28)27(25-11)20(29)14-5-3-13(4-6-14)10-26-12(2)24-19-16(21(26)30)8-15(22)9-17(19)23/h3-6,8-9H,7,10H2,1-2H3