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

Systemtic Name: 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]-N-phenethyl-ethanamide Openeye Name: 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxo-pyrazolo[3,4-d]pyridazin-6-yl]-N-phenethyl-acetamide CAS Name: 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxo-6-pyrazolo[3,4-d]pyridazinyl]-N-phenethylacetamide IUPAC Name: 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-phenethylacetamide Traditional Name: 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-keto-pyrazolo[3,4-d]pyridazin-6-yl]-N-phenethyl-acetamide Formula: C24H22ClN5O2 MolecularWeight: 447.91678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=O)C3=C2C=NN3C4=CC(=CC=C4)Cl)CC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=O)C3=C2C=NN3C4=CC(=CC=C4)Cl)CC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C24H22ClN5O2/c25-18-7-4-8-19(13-18)30-23-20(14-27-30)22(17-9-10-17)28-29(24(23)32)15-21(31)26-12-11-16-5-2-1-3-6-16/h1-8,13-14,17H,9-12,15H2,(H,26,31)