N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[5-tert-butyl-2-(4-methoxyphenyl)-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]adamantane-1-carboxamide Formula: C25H33N3O2 MolecularWeight: 407.54842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H33N3O2/c1-24(2,3)21-12-22(28(27-21)19-5-7-20(30-4)8-6-19)26-23(29)25-13-16-9-17(14-25)11-18(10-16)15-25/h5-8,12,16-18H,9-11,13-15H2,1-4H3,(H,26,29)