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

Systemtic Name: 3-[(2-chloranyl-4-methyl-phenyl)amino]-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one Openeye Name: 3-(2-chloro-4-methyl-anilino)-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one CAS Name: 3-(2-chloro-4-methylanilino)-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one IUPAC Name: 3-(2-chloro-4-methylanilino)-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one Traditional Name: 3-(2-chloro-4-methyl-anilino)-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one Formula: C22H22ClN3O MolecularWeight: 379.88258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O/c1-14-9-10-17(16(23)11-14)24-21-20-18(12-22(2,3)13-19(20)27)26(25-21)15-7-5-4-6-8-15/h4-11H,12-13H2,1-3H3,(H,24,25)