4-butanoyl-5,6-bis(4-chlorophenyl)-2-(1-oxidanylpropan-2-yl)pyridazin-3-one

Systemtic Name: 4-butanoyl-5,6-bis(4-chlorophenyl)-2-(1-oxidanylpropan-2-yl)pyridazin-3-one Openeye Name: 4-butanoyl-5,6-bis(4-chlorophenyl)-2-(2-hydroxy-1-methyl-ethyl)pyridazin-3-one CAS Name: 5,6-bis(4-chlorophenyl)-2-(1-hydroxypropan-2-yl)-4-(1-oxobutyl)-3-pyridazinone IUPAC Name: 4-butanoyl-5,6-bis(4-chlorophenyl)-2-(1-hydroxypropan-2-yl)pyridazin-3-one Traditional Name: 4-butyryl-5,6-bis(4-chlorophenyl)-2-(2-hydroxy-1-methyl-ethyl)pyridazin-3-one Formula: C23H22Cl2N2O3 MolecularWeight: 445.33838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=NN(C1=O)C(C)CO)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC(=O)C1=C(C(=NN(C1=O)C(C)CO)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H22Cl2N2O3/c1-3-4-19(29)21-20(15-5-9-17(24)10-6-15)22(16-7-11-18(25)12-8-16)26-27(23(21)30)14(2)13-28/h5-12,14,28H,3-4,13H2,1-2H3