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

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

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCCC(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCCC(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H25N5O4/c1-16-23-17(2)30(19-7-4-3-5-8-19)28-24(23)25(32)29(27-16)12-6-9-22(31)26-14-18-10-11-20-21(13-18)34-15-33-20/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3,(H,26,31)