N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[5-[(4-fluorophenyl)methyl]-2-thiazolyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[5-(4-fluorobenzyl)thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)F)OC1

InChI

InChI=1S/C20H17FN2O3S/c21-15-5-2-13(3-6-15)10-16-12-22-20(27-16)23-19(24)14-4-7-17-18(11-14)26-9-1-8-25-17/h2-7,11-12H,1,8-10H2,(H,22,23,24)