2-(3-bromanyl-1-adamantyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C22H26BrN3O MolecularWeight: 428.36534

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H26BrN3O/c23-22-9-16-6-17(10-22)8-21(7-16,15-22)11-20(27)24-12-18-13-25-26(14-18)19-4-2-1-3-5-19/h1-5,13-14,16-17H,6-12,15H2,(H,24,27)