3-[(3-chlorophenyl)amino]-1-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-5,7-dihydroindazol-4-one

Systemtic Name: 3-[(3-chlorophenyl)amino]-1-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-5,7-dihydroindazol-4-one Openeye Name: 3-(3-chloroanilino)-1-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-5,7-dihydroindazol-4-one CAS Name: 3-(3-chloroanilino)-1-(4,6-dimethyl-2-pyrimidinyl)-6,6-dimethyl-5,7-dihydroindazol-4-one IUPAC Name: 3-(3-chloroanilino)-1-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-5,7-dihydroindazol-4-one Traditional Name: 3-(3-chloroanilino)-1-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-5,7-dihydroindazol-4-one Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C3=C(C(=O)CC(C3)(C)C)C(=N2)NC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C3=C(C(=O)CC(C3)(C)C)C(=N2)NC4=CC(=CC=C4)Cl)C

InChI

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