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

Systemtic Name: 7-bromanyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide Openeye Name: 7-bromo-N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-1-benzoxepine-4-carboxamide CAS Name: 7-bromo-N-[5-[(4-fluorophenyl)methyl]-2-thiazolyl]-1-benzoxepin-4-carboxamide IUPAC Name: 7-bromo-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide Traditional Name: 7-bromo-N-[5-(4-fluorobenzyl)thiazol-2-yl]-1-benzoxepin-4-carboxamide Formula: C21H14BrFN2O2S MolecularWeight: 457.315463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CN=C(S2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC=C3)F

Isomeric SMILES

C1=CC(=CC=C1CC2=CN=C(S2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC=C3)F

InChI

InChI=1S/C21H14BrFN2O2S/c22-16-3-6-19-15(11-16)10-14(7-8-27-19)20(26)25-21-24-12-18(28-21)9-13-1-4-17(23)5-2-13/h1-8,10-12H,9H2,(H,24,25,26)