5-(5-chloranyl-4-methyl-2-phenylmethoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine

Systemtic Name: 5-(5-chloranyl-4-methyl-2-phenylmethoxy-phenyl)-4-iodanyl-1H-pyrazol-3-amine Openeye Name: 5-(2-benzyloxy-5-chloro-4-methyl-phenyl)-4-iodo-1H-pyrazol-3-amine CAS Name: 5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine IUPAC Name: 5-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine Traditional Name: [5-(2-benzoxy-5-chloro-4-methyl-phenyl)-4-iodo-1H-pyrazol-3-yl]amine Formula: C17H15ClIN3O MolecularWeight: 439.67797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OCC2=CC=CC=C2)C3=C(C(=NN3)N)I)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)OCC2=CC=CC=C2)C3=C(C(=NN3)N)I)Cl

InChI

InChI=1S/C17H15ClIN3O/c1-10-7-14(23-9-11-5-3-2-4-6-11)12(8-13(10)18)16-15(19)17(20)22-21-16/h2-8H,9H2,1H3,(H3,20,21,22)