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

Systemtic Name: N-(1-adamantyl)-3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(1-adamantyl)-3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide CAS Name: N-(1-adamantyl)-3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(1-adamantyl)-3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzamide Traditional Name: N-(1-adamantyl)-3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzamide Formula: C23H28BrN3O MolecularWeight: 442.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)Br

InChI

InChI=1S/C23H28BrN3O/c1-14-21(24)15(2)27(26-14)13-16-4-3-5-20(9-16)22(28)25-23-10-17-6-18(11-23)8-19(7-17)12-23/h3-5,9,17-19H,6-8,10-13H2,1-2H3,(H,25,28)