2-[2-(4-chlorophenyl)-7-methyl-4-oxidanylidene-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[2-(4-chlorophenyl)-7-methyl-4-oxidanylidene-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl]acetamide CAS Name: 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-(1-pyrrolyl)-5-pyrazolo[3,4-d]pyridazinyl]-N-prop-2-enylacetamide IUPAC Name: 2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[2-(4-chlorophenyl)-4-keto-7-methyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl]acetamide Formula: C21H19ClN6O2 MolecularWeight: 422.86756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C(N(N=C12)C3=CC=C(C=C3)Cl)N4C=CC=C4)CC(=O)NCC=C

Isomeric SMILES

CC1=NN(C(=O)C2=C(N(N=C12)C3=CC=C(C=C3)Cl)N4C=CC=C4)CC(=O)NCC=C

InChI

InChI=1S/C21H19ClN6O2/c1-3-10-23-17(29)13-27-21(30)18-19(14(2)24-27)25-28(16-8-6-15(22)7-9-16)20(18)26-11-4-5-12-26/h3-9,11-12H,1,10,13H2,2H3,(H,23,29)