N-(1-adamantyl)-1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantyl)-1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C20H26BrN5O MolecularWeight: 432.35734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)Br

InChI

InChI=1S/C20H26BrN5O/c1-12-18(21)13(2)26(23-12)11-25-4-3-17(24-25)19(27)22-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,14-16H,5-11H2,1-2H3,(H,22,27)