5-(4,5-dimethyl-2-phenylmethoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine

Systemtic Name: 5-(4,5-dimethyl-2-phenylmethoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 5-(2-benzyloxy-4,5-dimethyl-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 5-(4,5-dimethyl-2-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(4,5-dimethyl-2-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-(2-benzoxy-4,5-dimethyl-phenyl)-4-iodo-1H-pyrazol-3-yl]amine Formula: C18H18IN3O MolecularWeight: 419.25949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=C(C(=NN2)N)I)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=C(C(=NN2)N)I)OCC3=CC=CC=C3)C

InChI

InChI=1S/C18H18IN3O/c1-11-8-14(17-16(19)18(20)22-21-17)15(9-12(11)2)23-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H3,20,21,22)