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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C=C4)CN5C=C(C=N5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C=C4)CN5C=C(C=N5)Br

InChI

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