N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-iodanyl-aniline

Systemtic Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-iodanyl-aniline Openeye Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-iodo-aniline CAS Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-iodoaniline IUPAC Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-iodoaniline Traditional Name: (3,5-dimethyl-1H-pyrazol-4-yl)methyl-(4-iodophenyl)amine Formula: C12H14IN3 MolecularWeight: 327.16413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=CC=C(C=C2)I

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=CC=C(C=C2)I

InChI

InChI=1S/C12H14IN3/c1-8-12(9(2)16-15-8)7-14-11-5-3-10(13)4-6-11/h3-6,14H,7H2,1-2H3,(H,15,16)