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

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-3-(4-dimethylaminophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one Openeye Name: 1-(6-chloropyridazin-3-yl)-3-(4-dimethylaminophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one CAS Name: 1-(6-chloro-3-pyridazinyl)-3-(4-dimethylaminophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one IUPAC Name: 1-(6-chloropyridazin-3-yl)-3-(4-dimethylaminophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one Traditional Name: 1-(6-chloropyridazin-3-yl)-3-(4-dimethylaminophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1N(N=C2C3=CC=C(C=C3)N(C)C)C4=NN=C(C=C4)Cl)C

Isomeric SMILES

CC1(CCC(=O)C2=C1N(N=C2C3=CC=C(C=C3)N(C)C)C4=NN=C(C=C4)Cl)C

InChI

InChI=1S/C21H22ClN5O/c1-21(2)12-11-15(28)18-19(13-5-7-14(8-6-13)26(3)4)25-27(20(18)21)17-10-9-16(22)23-24-17/h5-10H,11-12H2,1-4H3