N-[1-(1-adamantyl)propyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(3,5-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C26H35N3O2 MolecularWeight: 421.575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=CC(=CC(=C5)C)C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=CC(=CC(=C5)C)C

InChI

InChI=1S/C26H35N3O2/c1-4-24(26-13-19-10-20(14-26)12-21(11-19)15-26)27-25(30)23-5-6-29(28-23)16-31-22-8-17(2)7-18(3)9-22/h5-9,19-21,24H,4,10-16H2,1-3H3,(H,27,30)