4-[2-(3-bromanyl-1-adamantyl)ethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-(3-bromanyl-1-adamantyl)ethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-(3-bromo-1-adamantyl)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[2-(3-bromo-1-adamantyl)-1-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-(3-bromo-1-adamantyl)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-(3-bromo-1-adamantyl)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H27BrN2O3 MolecularWeight: 447.36538

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H27BrN2O3/c1-24-20(27)18-12-25(16-4-2-3-5-17(16)28-18)19(26)11-21-7-14-6-15(8-21)10-22(23,9-14)13-21/h2-5,14-15,18H,6-13H2,1H3,(H,24,27)