3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]adamantane-1-carboxamide

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(1-ethyl-3-methyl-4-pyrazolyl)ethyl]-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]adamantane-1-carboxamide Formula: C21H29BrN6O MolecularWeight: 461.39856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C(C)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

Isomeric SMILES

CCN1C=C(C(=N1)C)C(C)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

InChI

InChI=1S/C21H29BrN6O/c1-4-27-10-17(14(3)25-27)13(2)24-18(29)20-6-15-5-16(7-20)9-21(8-15,11-20)28-12-23-19(22)26-28/h10,12-13,15-16H,4-9,11H2,1-3H3,(H,24,29)