4-[[3-(3-bromanyl-1,2,4-triazol-1-yl)-1-adamantyl]carbonylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide

Systemtic Name: 4-[[3-(3-bromanyl-1,2,4-triazol-1-yl)-1-adamantyl]carbonylamino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide Openeye Name: 4-[[3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide CAS Name: 4-[[[3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-oxomethyl]amino]-1-ethyl-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-[[3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide Traditional Name: 4-[[3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-1-ethyl-N-phenyl-pyrazole-3-carboxamide Formula: C25H28BrN7O2 MolecularWeight: 538.43952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Br

InChI

InChI=1S/C25H28BrN7O2/c1-2-32-13-19(20(30-32)21(34)28-18-6-4-3-5-7-18)29-22(35)24-9-16-8-17(10-24)12-25(11-16,14-24)33-15-27-23(26)31-33/h3-7,13,15-17H,2,8-12,14H2,1H3,(H,28,34)(H,29,35)