4-[2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxidanylidene-pyrazolo[3,4-d]pyridazin-6-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[3,4-d]pyridazin-6-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxo-6-pyrazolo[3,4-d]pyridazinyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[4-cyclopropyl-7-keto-1-(o-tolyl)pyrazolo[3,4-d]pyridazin-6-yl]acetyl]amino]benzamide Formula: C24H22N6O3 MolecularWeight: 442.46988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=NN(C3=O)CC(=O)NC4=CC=C(C=C4)C(=O)N)C5CC5

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=NN(C3=O)CC(=O)NC4=CC=C(C=C4)C(=O)N)C5CC5

InChI

InChI=1S/C24H22N6O3/c1-14-4-2-3-5-19(14)30-22-18(12-26-30)21(15-6-7-15)28-29(24(22)33)13-20(31)27-17-10-8-16(9-11-17)23(25)32/h2-5,8-12,15H,6-7,13H2,1H3,(H2,25,32)(H,27,31)