N-(2-adamantyl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-1-[(4-tert-butylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H33N3O2/c1-25(2,3)20-4-6-21(7-5-20)30-15-28-9-8-22(27-28)24(29)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-9,16-19,23H,10-15H2,1-3H3,(H,26,29)