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

Systemtic Name: N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-methoxy-1-benzoxepine-4-carboxamide Openeye Name: N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-7-methoxy-1-benzoxepine-4-carboxamide CAS Name: N-[5-[(2-fluorophenyl)methyl]-2-thiazolyl]-7-methoxy-1-benzoxepin-4-carboxamide IUPAC Name: N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-7-methoxy-1-benzoxepine-4-carboxamide Traditional Name: N-[5-(2-fluorobenzyl)thiazol-2-yl]-7-methoxy-1-benzoxepin-4-carboxamide Formula: C22H17FN2O3S MolecularWeight: 408.445383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC=CC(=C2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4F

Isomeric SMILES

COC1=CC2=C(C=C1)OC=CC(=C2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H17FN2O3S/c1-27-17-6-7-20-16(11-17)10-15(8-9-28-20)21(26)25-22-24-13-18(29-22)12-14-4-2-3-5-19(14)23/h2-11,13H,12H2,1H3,(H,24,25,26)