N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanamide Traditional Name: 2-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-piperonyl-butyramide Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C(=O)C4=NN(C(=C4C(=N3)C)C)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C(=O)C4=NN(C(=C4C(=N3)C)C)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O4/c1-4-19(24(31)26-13-17-10-11-20-21(12-17)34-14-33-20)30-25(32)23-22(15(2)27-30)16(3)29(28-23)18-8-6-5-7-9-18/h5-12,19H,4,13-14H2,1-3H3,(H,26,31)