N-(2-adamantyl)-4-bromanyl-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-4-bromanyl-1-ethyl-pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-4-bromo-1-ethyl-pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-4-bromo-1-ethyl-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-4-bromo-1-ethylpyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-4-bromo-1-ethyl-pyrazole-3-carboxamide Formula: C16H22BrN3O MolecularWeight: 352.26938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2C3CC4CC(C3)CC2C4)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2C3CC4CC(C3)CC2C4)Br

InChI

InChI=1S/C16H22BrN3O/c1-2-20-8-13(17)15(19-20)16(21)18-14-11-4-9-3-10(6-11)7-12(14)5-9/h8-12,14H,2-7H2,1H3,(H,18,21)