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

Systemtic Name: 4-[2-(4-methyl-7-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)ethanoylamino]benzamide Openeye Name: 4-[[2-(4-methyl-7-oxo-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)acetyl]amino]benzamide CAS Name: 4-[[2-(4-methyl-7-oxo-1-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(4-methyl-7-oxo-1-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-(7-keto-4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)acetyl]amino]benzamide Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C1C=NN2C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC1=NN(C(=O)C2=C1C=NN2C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H18N6O3/c1-13-17-11-23-27(16-5-3-2-4-6-16)19(17)21(30)26(25-13)12-18(28)24-15-9-7-14(8-10-15)20(22)29/h2-11H,12H2,1H3,(H2,22,29)(H,24,28)