(2R)-2-[3-(3-acetamido-4-methyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(4-chlorophenyl)butanamide

Systemtic Name: (2R)-2-[3-(3-acetamido-4-methyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(4-chlorophenyl)butanamide Openeye Name: (2R)-2-[3-(3-acetamido-4-methyl-phenyl)-6-oxo-pyridazin-1-yl]-N-(4-chlorophenyl)butanamide CAS Name: (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxo-1-pyridazinyl]-N-(4-chlorophenyl)butanamide IUPAC Name: (2R)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-chlorophenyl)butanamide Traditional Name: (2R)-2-[3-(3-acetamido-4-methyl-phenyl)-6-keto-pyridazin-1-yl]-N-(4-chlorophenyl)butyramide Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Cl)N2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)NC(=O)C

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)Cl)N2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)NC(=O)C

InChI

InChI=1S/C23H23ClN4O3/c1-4-21(23(31)26-18-9-7-17(24)8-10-18)28-22(30)12-11-19(27-28)16-6-5-14(2)20(13-16)25-15(3)29/h5-13,21H,4H2,1-3H3,(H,25,29)(H,26,31)/t21-/m1/s1