N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-8-methyl-1-benzoxepine-4-carboxamide

Systemtic Name: N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-8-methyl-1-benzoxepine-4-carboxamide Openeye Name: N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-8-methyl-1-benzoxepine-4-carboxamide CAS Name: N-[5-[(4-fluorophenyl)methyl]-2-thiazolyl]-8-methyl-1-benzoxepin-4-carboxamide IUPAC Name: N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-8-methyl-1-benzoxepine-4-carboxamide Traditional Name: N-[5-(4-fluorobenzyl)thiazol-2-yl]-8-methyl-1-benzoxepin-4-carboxamide Formula: C22H17FN2O2S MolecularWeight: 392.445983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C=CO2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C=CO2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN2O2S/c1-14-2-5-16-12-17(8-9-27-20(16)10-14)21(26)25-22-24-13-19(28-22)11-15-3-6-18(23)7-4-15/h2-10,12-13H,11H2,1H3,(H,24,25,26)