4-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)butanamide

Systemtic Name: 4-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)butanamide Openeye Name: 4-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)butanamide CAS Name: 4-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-N-(3,5-dimethylphenyl)butanamide IUPAC Name: 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)butanamide Traditional Name: N-(3,5-dimethylphenyl)-4-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butyramide Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CCCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CCCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H27N5O2/c1-16-13-17(2)15-20(14-16)26-22(31)11-8-12-29-25(32)24-23(18(3)27-29)19(4)30(28-24)21-9-6-5-7-10-21/h5-7,9-10,13-15H,8,11-12H2,1-4H3,(H,26,31)