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

Systemtic Name: N-(1-adamantyl)-1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantyl)-1-[(4-chloro-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantyl)-1-[(4-chloro-3-methylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantyl)-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-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)NC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

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

InChI

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