2-[3-(3-acetamido-4-ethyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3-chlorophenyl)ethanamide

Systemtic Name: 2-[3-(3-acetamido-4-ethyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(3-chlorophenyl)ethanamide Openeye Name: 2-[3-(3-acetamido-4-ethyl-phenyl)-6-oxo-pyridazin-1-yl]-N-(3-chlorophenyl)acetamide CAS Name: 2-[3-(3-acetamido-4-ethylphenyl)-6-oxo-1-pyridazinyl]-N-(3-chlorophenyl)acetamide IUPAC Name: 2-[3-(3-acetamido-4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(3-chlorophenyl)acetamide Traditional Name: 2-[3-(3-acetamido-4-ethyl-phenyl)-6-keto-pyridazin-1-yl]-N-(3-chlorophenyl)acetamide Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC(=CC=C3)Cl)NC(=O)C

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC(=CC=C3)Cl)NC(=O)C

InChI

InChI=1S/C22H21ClN4O3/c1-3-15-7-8-16(11-20(15)24-14(2)28)19-9-10-22(30)27(26-19)13-21(29)25-18-6-4-5-17(23)12-18/h4-12H,3,13H2,1-2H3,(H,24,28)(H,25,29)