6-chloranyl-N-(1-propylbenzimidazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C20H20ClN3O3/c1-2-8-24-16-7-4-3-6-15(16)22-20(24)23-19(25)13-11-14(21)18-17(12-13)26-9-5-10-27-18/h3-4,6-7,11-12H,2,5,8-10H2,1H3,(H,22,23,25)