N-(2-adamantyl)-1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C20H26BrN5O MolecularWeight: 432.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3C4CC5CC(C4)CC3C5)C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3C4CC5CC(C4)CC3C5)C)Br

InChI

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