N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-methyl-acetamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-methylacetamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-methylacetamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-methyl-acetamide Formula: C25H33N3O2 MolecularWeight: 407.54842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C25H33N3O2/c1-17-22(18(2)28(26-17)21-7-5-4-6-8-21)15-27(3)23(29)14-24-10-19-9-20(11-24)13-25(30,12-19)16-24/h4-8,19-20,30H,9-16H2,1-3H3/t19-,20+,24?,25?