3-chloranyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine

Systemtic Name: 3-chloranyl-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine Openeye Name: 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine CAS Name: 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepin IUPAC Name: 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine Traditional Name: 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepin Formula: C24H18ClFO3 MolecularWeight: 408.849323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=C(C3=CC=CC=C3O2)C4=CC=C(C=C4)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=C(C3=CC=CC=C3O2)C4=CC=C(C=C4)F)Cl)OC

InChI

InChI=1S/C24H18ClFO3/c1-27-22-12-9-16(13-23(22)28-2)24-20(25)14-19(15-7-10-17(26)11-8-15)18-5-3-4-6-21(18)29-24/h3-14H,1-2H3