2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)-cyclopropyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C21H22ClFN2O3 MolecularWeight: 404.862383

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN(CC3=C(C=CC=C3Cl)F)C4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN(CC3=C(C=CC=C3Cl)F)C4CC4)OC1

InChI

InChI=1S/C21H22ClFN2O3/c22-17-3-1-4-18(23)16(17)12-25(15-6-7-15)13-21(26)24-14-5-8-19-20(11-14)28-10-2-9-27-19/h1,3-5,8,11,15H,2,6-7,9-10,12-13H2,(H,24,26)