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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O2/c1-17-11-13-20(14-12-17)16-26-22(31)10-7-15-29-25(32)24-23(18(2)27-29)19(3)30(28-24)21-8-5-4-6-9-21/h4-6,8-9,11-14H,7,10,15-16H2,1-3H3,(H,26,31)