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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC(=CC(=N4)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC(=CC(=N4)C)C)Cl

InChI

InChI=1S/C20H20ClN5O/c1-11-7-8-14(10-15(11)21)24-19-18-16(5-4-6-17(18)27)26(25-19)20-22-12(2)9-13(3)23-20/h7-10H,4-6H2,1-3H3,(H,24,25)