N-[1-(1-adamantyl)pyrazol-3-yl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C18H22IN5O MolecularWeight: 451.30465

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)I

InChI

InChI=1S/C18H22IN5O/c1-23-10-14(19)16(22-23)17(25)20-15-2-3-24(21-15)18-7-11-4-12(8-18)6-13(5-11)9-18/h2-3,10-13H,4-9H2,1H3,(H,20,21,25)