N-[5-(1-adamantyl)-2-bromanyl-phenyl]-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamide

Systemtic Name: N-[5-(1-adamantyl)-2-bromanyl-phenyl]-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamide Openeye Name: N-[5-(1-adamantyl)-2-bromo-phenyl]-2-(2-methyl-5-nitro-imidazol-1-yl)acetamide CAS Name: N-[5-(1-adamantyl)-2-bromophenyl]-2-(2-methyl-5-nitro-1-imidazolyl)acetamide IUPAC Name: N-[5-(1-adamantyl)-2-bromophenyl]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide Traditional Name: N-[5-(1-adamantyl)-2-bromo-phenyl]-2-(2-methyl-5-nitro-imidazol-1-yl)acetamide Formula: C22H25BrN4O3 MolecularWeight: 473.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(=O)NC2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(=O)NC2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H25BrN4O3/c1-13-24-11-21(27(29)30)26(13)12-20(28)25-19-7-17(2-3-18(19)23)22-8-14-4-15(9-22)6-16(5-14)10-22/h2-3,7,11,14-16H,4-6,8-10,12H2,1H3,(H,25,28)