1-(6-chloranylpyridazin-3-yl)-3-(2,6-dimethoxyphenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-3-(2,6-dimethoxyphenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one Openeye Name: 1-(6-chloropyridazin-3-yl)-3-(2,6-dimethoxyphenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one CAS Name: 1-(6-chloro-3-pyridazinyl)-3-(2,6-dimethoxyphenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one IUPAC Name: 1-(6-chloropyridazin-3-yl)-3-(2,6-dimethoxyphenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one Traditional Name: 1-(6-chloropyridazin-3-yl)-3-(2,6-dimethoxyphenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one Formula: C21H21ClN4O3 MolecularWeight: 412.86944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1N(N=C2C3=C(C=CC=C3OC)OC)C4=NN=C(C=C4)Cl)C

Isomeric SMILES

CC1(CCC(=O)C2=C1N(N=C2C3=C(C=CC=C3OC)OC)C4=NN=C(C=C4)Cl)C

InChI

InChI=1S/C21H21ClN4O3/c1-21(2)11-10-12(27)17-19(18-13(28-3)6-5-7-14(18)29-4)25-26(20(17)21)16-9-8-15(22)23-24-16/h5-9H,10-11H2,1-4H3