N-(2-adamantyl)-4,5-bis(bromanyl)-1H-pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-4,5-bis(bromanyl)-1H-pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-4,5-dibromo-1H-pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-4,5-dibromo-1H-pyrazole-3-carboxamide IUPAC Name: N-(2-adamantyl)-4,5-dibromo-1H-pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-4,5-dibromo-1H-pyrazole-3-carboxamide Formula: C14H17Br2N3O MolecularWeight: 403.11228

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=NNC(=C4Br)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=NNC(=C4Br)Br

InChI

InChI=1S/C14H17Br2N3O/c15-10-12(18-19-13(10)16)14(20)17-11-8-2-6-1-7(4-8)5-9(11)3-6/h6-9,11H,1-5H2,(H,17,20)(H,18,19)