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

Systemtic Name: 3-chloranyl-1-(diphenylmethyl)-4-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-benzhydryl-3-chloro-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(diphenylmethyl)-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-benzhydryl-3-chloro-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-benzhydryl-3-chloro-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C27H20ClN3O3 MolecularWeight: 469.919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C2=C(C(=O)N(C2=O)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1C2=C(C(=O)N(C2=O)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H20ClN3O3/c1-17-21(26(33)31(29-17)20-15-9-4-10-16-20)22-23(28)27(34)30(25(22)32)24(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16,21,24H,1H3