(4S,4aS)-4-(2-chloranyl-6-fluoranyl-phenyl)-2-phenyl-1,4,4a,6,7,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione

Systemtic Name: (4S,4aS)-4-(2-chloranyl-6-fluoranyl-phenyl)-2-phenyl-1,4,4a,6,7,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione Openeye Name: (4S,4aS)-4-(2-chloro-6-fluoro-phenyl)-2-phenyl-1,4,4a,6,7,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione CAS Name: (4S,4aS)-4-(2-chloro-6-fluorophenyl)-2-phenyl-1,4,4a,6,7,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione IUPAC Name: (4S,4aS)-4-(2-chloro-6-fluorophenyl)-2-phenyl-1,4,4a,6,7,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione Traditional Name: (4S,4aS)-4-(2-chloro-6-fluoro-phenyl)-2-phenyl-1,4,4a,6,7,9-hexahydropyrazolo[3,4-b]quinoline-3,5-quinone Formula: C22H17ClFN3O2 MolecularWeight: 409.840683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2C(C3=C(NC2=C1)NN(C3=O)C4=CC=CC=C4)C5=C(C=CC=C5Cl)F

Isomeric SMILES

C1CC(=O)[C@H]2[C@@H](C3=C(NC2=C1)NN(C3=O)C4=CC=CC=C4)C5=C(C=CC=C5Cl)F

InChI

InChI=1S/C22H17ClFN3O2/c23-13-8-4-9-14(24)17(13)19-18-15(10-5-11-16(18)28)25-21-20(19)22(29)27(26-21)12-6-2-1-3-7-12/h1-4,6-10,18-19,25-26H,5,11H2/t18-,19-/m0/s1