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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CCN3C=NC4=CC=CC=C43)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CCN3C=NC4=CC=CC=C43)Cl)OC1

InChI

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