6-(4-bromophenyl)-2-[(2-chloranyl-4-methyl-phenyl)methyl]-4-(2-oxidanylidenepropyl)pyridazin-3-one

Systemtic Name: 6-(4-bromophenyl)-2-[(2-chloranyl-4-methyl-phenyl)methyl]-4-(2-oxidanylidenepropyl)pyridazin-3-one Openeye Name: 4-acetonyl-6-(4-bromophenyl)-2-[(2-chloro-4-methyl-phenyl)methyl]pyridazin-3-one CAS Name: 6-(4-bromophenyl)-2-[(2-chloro-4-methylphenyl)methyl]-4-(2-oxopropyl)-3-pyridazinone IUPAC Name: 6-(4-bromophenyl)-2-[(2-chloro-4-methylphenyl)methyl]-4-(2-oxopropyl)pyridazin-3-one Traditional Name: 4-acetonyl-6-(4-bromophenyl)-2-(2-chloro-4-methyl-benzyl)pyridazin-3-one Formula: C21H18BrClN2O2 MolecularWeight: 445.73682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=O)C(=CC(=N2)C3=CC=C(C=C3)Br)CC(=O)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=O)C(=CC(=N2)C3=CC=C(C=C3)Br)CC(=O)C)Cl

InChI

InChI=1S/C21H18BrClN2O2/c1-13-3-4-16(19(23)9-13)12-25-21(27)17(10-14(2)26)11-20(24-25)15-5-7-18(22)8-6-15/h3-9,11H,10,12H2,1-2H3