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

Systemtic Name: 3-[(2,4-dimethylphenyl)amino]-1-phenyl-6,7-dihydro-5H-indazol-4-one Openeye Name: 3-(2,4-dimethylanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one CAS Name: 3-(2,4-dimethylanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one IUPAC Name: 3-(2,4-dimethylanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one Traditional Name: 3-(2,4-dimethylanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O/c1-14-11-12-17(15(2)13-14)22-21-20-18(9-6-10-19(20)25)24(23-21)16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,22,23)