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

Systemtic Name: 3-[(3,4-dichlorophenyl)amino]-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one Openeye Name: 3-(3,4-dichloroanilino)-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one CAS Name: 3-(3,4-dichloroanilino)-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one IUPAC Name: 3-(3,4-dichloroanilino)-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one Traditional Name: 3-(3,4-dichloroanilino)-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one Formula: C21H19Cl2N3O MolecularWeight: 400.30106

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC=CC=C3)NC4=CC(=C(C=C4)Cl)Cl)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NN2C3=CC=CC=C3)NC4=CC(=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C21H19Cl2N3O/c1-21(2)11-17-19(18(27)12-21)20(24-13-8-9-15(22)16(23)10-13)25-26(17)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,24,25)