N-(2-adamantyl)-1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-1-[(4-chloro-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-1-[(4-chloro-3-methylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-1-[(4-chloro-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2/c1-13-6-18(2-3-19(13)23)28-12-26-5-4-20(25-26)22(27)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h2-6,14-17,21H,7-12H2,1H3,(H,24,27)