3-iodanyl-1-methyl-N-[2-[2-(3-methylbutyl)phenyl]phenyl]pyrazole-4-carboxamide

Systemtic Name: 3-iodanyl-1-methyl-N-[2-[2-(3-methylbutyl)phenyl]phenyl]pyrazole-4-carboxamide Openeye Name: 3-iodo-N-[2-(2-isopentylphenyl)phenyl]-1-methyl-pyrazole-4-carboxamide CAS Name: 3-iodo-1-methyl-N-[2-[2-(3-methylbutyl)phenyl]phenyl]-4-pyrazolecarboxamide IUPAC Name: 3-iodo-1-methyl-N-[2-[2-(3-methylbutyl)phenyl]phenyl]pyrazole-4-carboxamide Traditional Name: 3-iodo-N-[2-(2-isoamylphenyl)phenyl]-1-methyl-pyrazole-4-carboxamide Formula: C22H24IN3O MolecularWeight: 473.34993

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=CC=C1C2=CC=CC=C2NC(=O)C3=CN(N=C3I)C

Isomeric SMILES

CC(C)CCC1=CC=CC=C1C2=CC=CC=C2NC(=O)C3=CN(N=C3I)C

InChI

InChI=1S/C22H24IN3O/c1-15(2)12-13-16-8-4-5-9-17(16)18-10-6-7-11-20(18)24-22(27)19-14-26(3)25-21(19)23/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)