N-(2-adamantyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-1-[(2,4-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C23H29N3O2 MolecularWeight: 379.49526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NC3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NC3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C23H29N3O2/c1-14-3-4-21(15(2)7-14)28-13-26-6-5-20(25-26)23(27)24-22-18-9-16-8-17(11-18)12-19(22)10-16/h3-7,16-19,22H,8-13H2,1-2H3,(H,24,27)