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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCCCN3C=NC4=CC=CC=C43)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCCCN3C=NC4=CC=CC=C43)Cl)OC1

InChI

InChI=1S/C20H20ClN3O3/c21-15-11-14(12-18-19(15)27-10-4-9-26-18)20(25)22-7-3-8-24-13-23-16-5-1-2-6-17(16)24/h1-2,5-6,11-13H,3-4,7-10H2,(H,22,25)