3-iodanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline

Systemtic Name: 3-iodanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline Openeye Name: 3-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline CAS Name: 3-iodo-N-[(1,3,5-trimethyl-4-pyrazolyl)methyl]aniline IUPAC Name: 3-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline Traditional Name: (3-iodophenyl)-[(1,3,5-trimethylpyrazol-4-yl)methyl]amine Formula: C13H16IN3 MolecularWeight: 341.19071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC2=CC(=CC=C2)I

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC2=CC(=CC=C2)I

InChI

InChI=1S/C13H16IN3/c1-9-13(10(2)17(3)16-9)8-15-12-6-4-5-11(14)7-12/h4-7,15H,8H2,1-3H3