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

Systemtic Name: 4-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-ethoxyphenyl)methyl]butanamide Openeye Name: 4-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-ethoxyphenyl)methyl]butanamide CAS Name: 4-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-N-[(4-ethoxyphenyl)methyl]butanamide IUPAC Name: 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-ethoxyphenyl)methyl]butanamide Traditional Name: N-(4-ethoxybenzyl)-4-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butyramide Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H29N5O3/c1-4-34-22-14-12-20(13-15-22)17-27-23(32)11-8-16-30-26(33)25-24(18(2)28-30)19(3)31(29-25)21-9-6-5-7-10-21/h5-7,9-10,12-15H,4,8,11,16-17H2,1-3H3,(H,27,32)