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

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)amino]-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one Openeye Name: 3-(3-chloro-4-methyl-anilino)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one CAS Name: 3-(3-chloro-4-methylanilino)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one IUPAC Name: 3-(3-chloro-4-methylanilino)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one Traditional Name: 3-(3-chloro-4-methyl-anilino)-6,6-dimethyl-5,7-dihydro-1H-indazol-4-one Formula: C16H18ClN3O MolecularWeight: 303.78662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NNC3=C2C(=O)CC(C3)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NNC3=C2C(=O)CC(C3)(C)C)Cl

InChI

InChI=1S/C16H18ClN3O/c1-9-4-5-10(6-11(9)17)18-15-14-12(19-20-15)7-16(2,3)8-13(14)21/h4-6H,7-8H2,1-3H3,(H2,18,19,20)