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

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)OC1

InChI

InChI=1S/C21H26BrNO3/c22-21-10-14-6-15(11-21)9-20(8-14,13-21)12-19(24)23-16-2-3-17-18(7-16)26-5-1-4-25-17/h2-3,7,14-15H,1,4-6,8-13H2,(H,23,24)