N-[1-(4-butan-2-ylphenyl)propyl]-4-iodanyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-4-iodanyl-1H-pyrazole-5-carboxamide Openeye Name: 4-iodo-N-[1-(4-sec-butylphenyl)propyl]-1H-pyrazole-5-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-4-iodo-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-4-iodo-1H-pyrazole-5-carboxamide Traditional Name: 4-iodo-N-[1-(4-sec-butylphenyl)propyl]-1H-pyrazole-5-carboxamide Formula: C17H22IN3O MolecularWeight: 411.28055

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=C(C=NN2)I

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=C(C=NN2)I

InChI

InChI=1S/C17H22IN3O/c1-4-11(3)12-6-8-13(9-7-12)15(5-2)20-17(22)16-14(18)10-19-21-16/h6-11,15H,4-5H2,1-3H3,(H,19,21)(H,20,22)