4-azanyl-2-[2-(3-bromanyl-1-adamantyl)ethanoyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[2-(3-bromanyl-1-adamantyl)ethanoyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[2-(3-bromo-1-adamantyl)acetyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[2-(3-bromo-1-adamantyl)-1-oxoethyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[2-(3-bromo-1-adamantyl)acetyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[2-(3-bromo-1-adamantyl)acetyl]isoindoline-1,3-quinone Formula: C20H21BrN2O3 MolecularWeight: 417.29634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)N4C(=O)C5=C(C4=O)C(=CC=C5)N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)N4C(=O)C5=C(C4=O)C(=CC=C5)N

InChI

InChI=1S/C20H21BrN2O3/c21-20-7-11-4-12(8-20)6-19(5-11,10-20)9-15(24)23-17(25)13-2-1-3-14(22)16(13)18(23)26/h1-3,11-12H,4-10,22H2