N-(1-adamantylcarbamoyl)-2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[5-(4-bromophenyl)-1,2,3,4-tetrazol-2-yl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[5-(4-bromophenyl)tetrazol-2-yl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[5-(4-bromophenyl)-2-tetrazolyl]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[5-(4-bromophenyl)tetrazol-2-yl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[5-(4-bromophenyl)tetrazol-2-yl]acetamide Formula: C20H23BrN6O2 MolecularWeight: 459.33962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CN4N=C(N=N4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CN4N=C(N=N4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C20H23BrN6O2/c21-16-3-1-15(2-4-16)18-24-26-27(25-18)11-17(28)22-19(29)23-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H2,22,23,28,29)