3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(3-chloro-2-methyl-anilino)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one CAS Name: 3-(3-chloro-2-methylanilino)-1-(4,6-dimethyl-2-pyrimidinyl)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-(3-chloro-2-methylanilino)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(3-chloro-2-methyl-anilino)-1-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-indazol-4-one Formula: C20H20ClN5O MolecularWeight: 381.8587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C3=C(C(=O)CCC3)C(=N2)NC4=C(C(=CC=C4)Cl)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C3=C(C(=O)CCC3)C(=N2)NC4=C(C(=CC=C4)Cl)C)C

InChI

InChI=1S/C20H20ClN5O/c1-11-10-12(2)23-20(22-11)26-16-8-5-9-17(27)18(16)19(25-26)24-15-7-4-6-14(21)13(15)3/h4,6-7,10H,5,8-9H2,1-3H3,(H,24,25)