6-chloranyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-(2-methyl-1-benzimidazolyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCNC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C20H20ClN3O3/c1-13-23-16-5-2-3-6-17(16)24(13)8-7-22-20(25)14-11-15(21)19-18(12-14)26-9-4-10-27-19/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,22,25)