N-(2-adamantyl)-1-[(3-chloranylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-1-[(3-chloranylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-1-[(3-chlorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN(C=C4)COC5=CC(=CC=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=NN(C=C4)COC5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H24ClN3O2/c22-17-2-1-3-18(11-17)27-12-25-5-4-19(24-25)21(26)23-20-15-7-13-6-14(9-15)10-16(20)8-13/h1-5,11,13-16,20H,6-10,12H2,(H,23,26)