2-(3-bromanyl-1-adamantyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide Formula: C23H28BrN3O MolecularWeight: 442.39192

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NCCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NCCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C23H28BrN3O/c24-23-13-18-10-19(14-23)12-22(11-18,16-23)15-21(28)25-8-6-17-2-4-20(5-3-17)27-9-1-7-26-27/h1-5,7,9,18-19H,6,8,10-16H2,(H,25,28)