1-(1H-benzimidazol-2-yl)-3-[(3,5-dimethylphenyl)amino]-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 1-(1H-benzimidazol-2-yl)-3-[(3,5-dimethylphenyl)amino]-6,7-dihydro-5H-indazol-4-one Openeye Name: 1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylanilino)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylanilino)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylanilino)-6,7-dihydro-5H-indazol-4-one Traditional Name: 1-(1H-benzimidazol-2-yl)-3-(3,5-dimethylanilino)-6,7-dihydro-5H-indazol-4-one Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5N4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5N4)C

InChI

InChI=1S/C22H21N5O/c1-13-10-14(2)12-15(11-13)23-21-20-18(8-5-9-19(20)28)27(26-21)22-24-16-6-3-4-7-17(16)25-22/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,23,26)(H,24,25)