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

Systemtic Name: N-(1-adamantylmethyl)-1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide Formula: C24H30ClN3O2 MolecularWeight: 427.9669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30ClN3O2/c1-15-5-20(6-16(2)22(15)25)30-14-28-4-3-21(27-28)23(29)26-13-24-10-17-7-18(11-24)9-19(8-17)12-24/h3-6,17-19H,7-14H2,1-2H3,(H,26,29)