4-[[3-[(3,4-dimethylphenyl)amino]quinoxalin-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[3-[(3,4-dimethylphenyl)amino]quinoxalin-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[3-(3,4-dimethylanilino)quinoxalin-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[3-(3,4-dimethylanilino)-2-quinoxalinyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[3-(3,4-dimethylanilino)quinoxalin-2-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[3-(3,4-dimethylanilino)quinoxalin-2-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H26N6O MolecularWeight: 450.53494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C

InChI

InChI=1S/C27H26N6O/c1-17-14-15-20(16-18(17)2)28-25-26(30-23-13-9-8-12-22(23)29-25)31-24-19(3)32(4)33(27(24)34)21-10-6-5-7-11-21/h5-16H,1-4H3,(H,28,29)(H,30,31)