7-chloranyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-methoxy-1-benzoxepine-4-carboxamide

Systemtic Name: 7-chloranyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-methoxy-1-benzoxepine-4-carboxamide Openeye Name: 7-chloro-N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-9-methoxy-1-benzoxepine-4-carboxamide CAS Name: 7-chloro-N-[5-[(4-fluorophenyl)methyl]-2-thiazolyl]-9-methoxy-1-benzoxepin-4-carboxamide IUPAC Name: 7-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-9-methoxy-1-benzoxepine-4-carboxamide Traditional Name: 7-chloro-N-[5-(4-fluorobenzyl)thiazol-2-yl]-9-methoxy-1-benzoxepin-4-carboxamide Formula: C22H16ClFN2O3S MolecularWeight: 442.890443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Cl)C=C(C=CO2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)F

Isomeric SMILES

COC1=C2C(=CC(=C1)Cl)C=C(C=CO2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H16ClFN2O3S/c1-28-19-11-16(23)10-15-9-14(6-7-29-20(15)19)21(27)26-22-25-12-18(30-22)8-13-2-4-17(24)5-3-13/h2-7,9-12H,8H2,1H3,(H,25,26,27)