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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1N(N=C2CC3=CC=CC=C3)C4=NN=C(C=C4)Cl)C

Isomeric SMILES

CC1(CCC(=O)C2=C1N(N=C2CC3=CC=CC=C3)C4=NN=C(C=C4)Cl)C

InChI

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