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

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide Formula: C26H34ClN3O2 MolecularWeight: 456.02006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=CC(=C(C(=C5)C)Cl)C

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=NN(C=C4)COC5=CC(=C(C(=C5)C)Cl)C

InChI

InChI=1S/C26H34ClN3O2/c1-4-23(26-12-18-9-19(13-26)11-20(10-18)14-26)28-25(31)22-5-6-30(29-22)15-32-21-7-16(2)24(27)17(3)8-21/h5-8,18-20,23H,4,9-15H2,1-3H3,(H,28,31)