1-(6-chloranylpyridazin-3-yl)-5,5-dimethyl-3-(phenylmethyl)-6,7-dihydroindazol-4-one

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-5,5-dimethyl-3-(phenylmethyl)-6,7-dihydroindazol-4-one Openeye Name: 3-benzyl-1-(6-chloropyridazin-3-yl)-5,5-dimethyl-6,7-dihydroindazol-4-one CAS Name: 1-(6-chloro-3-pyridazinyl)-5,5-dimethyl-3-(phenylmethyl)-6,7-dihydroindazol-4-one IUPAC Name: 3-benzyl-1-(6-chloropyridazin-3-yl)-5,5-dimethyl-6,7-dihydroindazol-4-one Traditional Name: 3-benzyl-1-(6-chloropyridazin-3-yl)-5,5-dimethyl-6,7-dihydroindazol-4-one Formula: C20H19ClN4O MolecularWeight: 366.84406

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(C1=O)C(=NN2C3=NN=C(C=C3)Cl)CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CCC2=C(C1=O)C(=NN2C3=NN=C(C=C3)Cl)CC4=CC=CC=C4)C

InChI

InChI=1S/C20H19ClN4O/c1-20(2)11-10-15-18(19(20)26)14(12-13-6-4-3-5-7-13)24-25(15)17-9-8-16(21)22-23-17/h3-9H,10-12H2,1-2H3