N-(3-chloranyl-4-methyl-phenyl)-2-(4-methyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(4-methyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-(4-methyl-7-oxo-1-phenyl-6-pyrazolo[3,4-d]pyridazinyl)acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(4-methyl-7-oxo-1-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-(7-keto-4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)acetamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(C=NN3C4=CC=CC=C4)C(=N2)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(C=NN3C4=CC=CC=C4)C(=N2)C)Cl

InChI

InChI=1S/C21H18ClN5O2/c1-13-8-9-15(10-18(13)22)24-19(28)12-26-21(29)20-17(14(2)25-26)11-23-27(20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,24,28)