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

Systemtic Name: 4-[[3-[(3-chlorophenyl)amino]quinoxalin-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[3-(3-chloroanilino)quinoxalin-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[3-(3-chloroanilino)-2-quinoxalinyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[3-(3-chloroanilino)quinoxalin-2-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[3-(3-chloroanilino)quinoxalin-2-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H21ClN6O MolecularWeight: 456.92684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H21ClN6O/c1-16-22(25(33)32(31(16)2)19-11-4-3-5-12-19)30-24-23(27-18-10-8-9-17(26)15-18)28-20-13-6-7-14-21(20)29-24/h3-15H,1-2H3,(H,27,28)(H,29,30)