N-[5-(1-adamantyl)-2-bromanyl-phenyl]-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanamide

Systemtic Name: N-[5-(1-adamantyl)-2-bromanyl-phenyl]-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanamide Openeye Name: N-[5-(1-adamantyl)-2-bromo-phenyl]-2-(5-phenyltetrazol-2-yl)acetamide CAS Name: N-[5-(1-adamantyl)-2-bromophenyl]-2-(5-phenyl-2-tetrazolyl)acetamide IUPAC Name: N-[5-(1-adamantyl)-2-bromophenyl]-2-(5-phenyltetrazol-2-yl)acetamide Traditional Name: N-[5-(1-adamantyl)-2-bromo-phenyl]-2-(5-phenyltetrazol-2-yl)acetamide Formula: C25H26BrN5O MolecularWeight: 492.41084

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)Br)NC(=O)CN5N=C(N=N5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)Br)NC(=O)CN5N=C(N=N5)C6=CC=CC=C6

InChI

InChI=1S/C25H26BrN5O/c26-21-7-6-20(25-12-16-8-17(13-25)10-18(9-16)14-25)11-22(21)27-23(32)15-31-29-24(28-30-31)19-4-2-1-3-5-19/h1-7,11,16-18H,8-10,12-15H2,(H,27,32)