3-(1-adamantyl)-N-(5-bromanylpyridin-2-yl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(5-bromanylpyridin-2-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(5-bromo-2-pyridyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(5-bromo-2-pyridinyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(5-bromopyridin-2-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(5-bromo-2-pyridyl)-1-phenyl-pyrazole-4-carboxamide Formula: C25H25BrN4O MolecularWeight: 477.3962

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=NC=C(C=C5)Br)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=NC=C(C=C5)Br)C6=CC=CC=C6

InChI

InChI=1S/C25H25BrN4O/c26-19-6-7-22(27-14-19)28-24(31)21-15-30(20-4-2-1-3-5-20)29-23(21)25-11-16-8-17(12-25)10-18(9-16)13-25/h1-7,14-18H,8-13H2,(H,27,28,31)