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

Systemtic Name: 2-(5-bromanyl-3-cyano-indol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(5-bromo-3-cyano-indol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-(5-bromo-3-cyano-1-indolyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(5-bromo-3-cyanoindol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(5-bromo-3-cyano-indol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C20H16BrN3O3 MolecularWeight: 426.26334

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3C=C(C4=C3C=CC(=C4)Br)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3C=C(C4=C3C=CC(=C4)Br)C#N)OC1

InChI

InChI=1S/C20H16BrN3O3/c21-14-2-4-17-16(8-14)13(10-22)11-24(17)12-20(25)23-15-3-5-18-19(9-15)27-7-1-6-26-18/h2-5,8-9,11H,1,6-7,12H2,(H,23,25)