N-(2-adamantyl)-4-bromanyl-2,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-4-bromanyl-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-4-bromo-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-4-bromo-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-4-bromo-2,5-dimethylpyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-4-bromo-2,5-dimethyl-pyrazole-3-carboxamide Formula: C16H22BrN3O MolecularWeight: 352.26938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)NC2C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)NC2C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C16H22BrN3O/c1-8-13(17)15(20(2)19-8)16(21)18-14-11-4-9-3-10(6-11)7-12(14)5-9/h9-12,14H,3-7H2,1-2H3,(H,18,21)