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

Systemtic Name: N-(1-adamantyl)-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-1-[(3,5-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C23H29N3O2 MolecularWeight: 379.49526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCN2C=CC(=N2)C(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

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