3-chloranyl-1-(diphenylmethyl)-4-[3-oxidanylidene-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(diphenylmethyl)-4-[3-oxidanylidene-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrole-2,5-dione Openeye Name: 1-benzhydryl-3-chloro-4-[3-oxo-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrole-2,5-dione CAS Name: 3-chloro-1-(diphenylmethyl)-4-[3-oxo-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrole-2,5-dione IUPAC Name: 1-benzhydryl-3-chloro-4-[3-oxo-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrole-2,5-dione Traditional Name: 1-benzhydryl-3-chloro-4-[5-keto-1-phenyl-3-(trifluoromethyl)-3-pyrazolin-4-yl]-3-pyrroline-2,5-quinone Formula: C27H17ClF3N3O3 MolecularWeight: 523.89039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C(=O)C(=C(C3=O)Cl)C4=C(NN(C4=O)C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C(=O)C(=C(C3=O)Cl)C4=C(NN(C4=O)C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C27H17ClF3N3O3/c28-21-19(20-23(27(29,30)31)32-34(25(20)36)18-14-8-3-9-15-18)24(35)33(26(21)37)22(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,22,32H