N-(2-adamantyl)-1-[(4-bromanylpyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-1-[(4-bromanylpyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-1-[(4-bromo-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C18H22BrN5O MolecularWeight: 404.30418

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN(C=C4)CN5C=C(C=N5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN(C=C4)CN5C=C(C=N5)Br

InChI

InChI=1S/C18H22BrN5O/c19-15-8-20-24(9-15)10-23-2-1-16(22-23)18(25)21-17-13-4-11-3-12(6-13)7-14(17)5-11/h1-2,8-9,11-14,17H,3-7,10H2,(H,21,25)