1-(1H-benzimidazol-2-yl)-3-[(3-chlorophenyl)amino]-6,6-dimethyl-5,7-dihydroindazol-4-one

Systemtic Name: 1-(1H-benzimidazol-2-yl)-3-[(3-chlorophenyl)amino]-6,6-dimethyl-5,7-dihydroindazol-4-one Openeye Name: 1-(1H-benzimidazol-2-yl)-3-(3-chloroanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one CAS Name: 1-(1H-benzimidazol-2-yl)-3-(3-chloroanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one IUPAC Name: 1-(1H-benzimidazol-2-yl)-3-(3-chloroanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one Traditional Name: 1-(1H-benzimidazol-2-yl)-3-(3-chloroanilino)-6,6-dimethyl-5,7-dihydroindazol-4-one Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=NN2C3=NC4=CC=CC=C4N3)NC5=CC(=CC=C5)Cl)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=NN2C3=NC4=CC=CC=C4N3)NC5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C22H20ClN5O/c1-22(2)11-17-19(18(29)12-22)20(24-14-7-5-6-13(23)10-14)27-28(17)21-25-15-8-3-4-9-16(15)26-21/h3-10H,11-12H2,1-2H3,(H,24,27)(H,25,26)