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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=NN(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=NN(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4

InChI

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