2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxo-pyrazolo[3,4-d]pyridazin-6-yl]-N-phenethyl-acetamide CAS Name: 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxo-6-pyrazolo[3,4-d]pyridazinyl]-N-phenethylacetamide IUPAC Name: 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-phenethylacetamide Traditional Name: 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-keto-pyrazolo[3,4-d]pyridazin-6-yl]-N-phenethyl-acetamide Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NN(C3=O)CC(=O)NCCC4=CC=CC=C4)C5CC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NN(C3=O)CC(=O)NCCC4=CC=CC=C4)C5CC5)C

InChI

InChI=1S/C26H27N5O2/c1-17-8-11-22(18(2)14-17)31-25-21(15-28-31)24(20-9-10-20)29-30(26(25)33)16-23(32)27-13-12-19-6-4-3-5-7-19/h3-8,11,14-15,20H,9-10,12-13,16H2,1-2H3,(H,27,32)