3-[(2-chloranyl-4-methyl-phenyl)amino]-1-(4-chlorophenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one

Systemtic Name: 3-[(2-chloranyl-4-methyl-phenyl)amino]-1-(4-chlorophenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one Openeye Name: 3-(2-chloro-4-methyl-anilino)-1-(4-chlorophenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one CAS Name: 3-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one IUPAC Name: 3-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one Traditional Name: 3-(2-chloro-4-methyl-anilino)-1-(4-chlorophenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one Formula: C22H21Cl2N3O MolecularWeight: 414.32764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N3O/c1-13-4-9-17(16(24)10-13)25-21-20-18(11-22(2,3)12-19(20)28)27(26-21)15-7-5-14(23)6-8-15/h4-10H,11-12H2,1-3H3,(H,25,26)