7-chloranyl-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide

Systemtic Name: 7-chloranyl-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide Openeye Name: 7-chloro-N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-1-benzoxepine-4-carboxamide CAS Name: 7-chloro-N-[5-[(2-fluorophenyl)methyl]-2-thiazolyl]-1-benzoxepin-4-carboxamide IUPAC Name: 7-chloro-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide Traditional Name: 7-chloro-N-[5-(2-fluorobenzyl)thiazol-2-yl]-1-benzoxepin-4-carboxamide Formula: C21H14ClFN2O2S MolecularWeight: 412.864463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CN=C(S2)NC(=O)C3=CC4=C(C=CC(=C4)Cl)OC=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CN=C(S2)NC(=O)C3=CC4=C(C=CC(=C4)Cl)OC=C3)F

InChI

InChI=1S/C21H14ClFN2O2S/c22-16-5-6-19-15(10-16)9-14(7-8-27-19)20(26)25-21-24-12-17(28-21)11-13-3-1-2-4-18(13)23/h1-10,12H,11H2,(H,24,25,26)