2-(5-bromanyl-3-cyano-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ethanamide

Systemtic Name: 2-(5-bromanyl-3-cyano-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ethanamide Openeye Name: 2-(5-bromo-3-cyano-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide CAS Name: 2-(5-bromo-3-cyano-1-indolyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide IUPAC Name: 2-(5-bromo-3-cyanoindol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide Traditional Name: 2-(5-bromo-3-cyano-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CN3C=C(C4=C3C=CC(=C4)Br)C#N

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CN3C=C(C4=C3C=CC(=C4)Br)C#N

InChI

InChI=1S/C22H20BrN3O3/c1-14(15-3-6-20-21(9-15)29-8-2-7-28-20)25-22(27)13-26-12-16(11-24)18-10-17(23)4-5-19(18)26/h3-6,9-10,12,14H,2,7-8,13H2,1H3,(H,25,27)