1-(3-chlorophenyl)-4-methyl-6-(3-methylbutyl)pyrazolo[3,4-d]pyridazin-7-one

Systemtic Name: 1-(3-chlorophenyl)-4-methyl-6-(3-methylbutyl)pyrazolo[3,4-d]pyridazin-7-one Openeye Name: 1-(3-chlorophenyl)-6-isopentyl-4-methyl-pyrazolo[3,4-d]pyridazin-7-one CAS Name: 1-(3-chlorophenyl)-4-methyl-6-(3-methylbutyl)-7-pyrazolo[3,4-d]pyridazinone IUPAC Name: 1-(3-chlorophenyl)-4-methyl-6-(3-methylbutyl)pyrazolo[3,4-d]pyridazin-7-one Traditional Name: 1-(3-chlorophenyl)-6-isoamyl-4-methyl-pyrazolo[3,4-d]pyridazin-7-one Formula: C17H19ClN4O MolecularWeight: 330.81196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C1C=NN2C3=CC(=CC=C3)Cl)CCC(C)C

Isomeric SMILES

CC1=NN(C(=O)C2=C1C=NN2C3=CC(=CC=C3)Cl)CCC(C)C

InChI

InChI=1S/C17H19ClN4O/c1-11(2)7-8-21-17(23)16-15(12(3)20-21)10-19-22(16)14-6-4-5-13(18)9-14/h4-6,9-11H,7-8H2,1-3H3