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

Systemtic Name: 2-[(2-chloranyl-4-methyl-phenyl)methyl]-6-(4-methylphenyl)-4-(2-oxidanylidenepropyl)pyridazin-3-one Openeye Name: 4-acetonyl-2-[(2-chloro-4-methyl-phenyl)methyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 2-[(2-chloro-4-methylphenyl)methyl]-6-(4-methylphenyl)-4-(2-oxopropyl)-3-pyridazinone IUPAC Name: 2-[(2-chloro-4-methylphenyl)methyl]-6-(4-methylphenyl)-4-(2-oxopropyl)pyridazin-3-one Traditional Name: 4-acetonyl-2-(2-chloro-4-methyl-benzyl)-6-(p-tolyl)pyridazin-3-one Formula: C22H21ClN2O2 MolecularWeight: 380.86734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)CC(=O)C)CC3=C(C=C(C=C3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)CC(=O)C)CC3=C(C=C(C=C3)C)Cl

InChI

InChI=1S/C22H21ClN2O2/c1-14-4-7-17(8-5-14)21-12-19(11-16(3)26)22(27)25(24-21)13-18-9-6-15(2)10-20(18)23/h4-10,12H,11,13H2,1-3H3