2-(4-chloranyl-2-fluoranyl-5-phenylmethoxy-phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one

Systemtic Name: 2-(4-chloranyl-2-fluoranyl-5-phenylmethoxy-phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one Openeye Name: 2-(5-benzyloxy-4-chloro-2-fluoro-phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one CAS Name: 2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one IUPAC Name: 2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one Traditional Name: 2-(5-benzoxy-4-chloro-2-fluoro-phenyl)-3a,4,5,6,7,7a-hexahydro-1H-indazol-3-one Formula: C20H20ClFN2O2 MolecularWeight: 374.836403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(N2)C3=CC(=C(C=C3F)Cl)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC2C(C1)C(=O)N(N2)C3=CC(=C(C=C3F)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C20H20ClFN2O2/c21-15-10-16(22)18(11-19(15)26-12-13-6-2-1-3-7-13)24-20(25)14-8-4-5-9-17(14)23-24/h1-3,6-7,10-11,14,17,23H,4-5,8-9,12H2