N-(1-adamantyl)-1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantyl)-1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantyl)-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide Formula: C23H28ClN3O2 MolecularWeight: 413.94032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28ClN3O2/c1-14-5-19(6-15(2)21(14)24)29-13-27-4-3-20(26-27)22(28)25-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,7-13H2,1-2H3,(H,25,28)