N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)ethanamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)ethanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-ethyl-1-benzimidazolyl)acetamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-ethylbenzimidazol-1-yl)acetamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CC(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H22ClN3O3/c1-2-19-24-16-6-3-4-7-17(16)25(19)13-20(26)23-12-14-10-15(22)21-18(11-14)27-8-5-9-28-21/h3-4,6-7,10-11H,2,5,8-9,12-13H2,1H3,(H,23,26)