4-iodanyl-5-(2-methoxy-5-octyl-phenyl)-1H-pyrazol-3-amine

Systemtic Name: 4-iodanyl-5-(2-methoxy-5-octyl-phenyl)-1H-pyrazol-3-amine Openeye Name: 4-iodo-5-(2-methoxy-5-octyl-phenyl)-1H-pyrazol-3-amine CAS Name: 4-iodo-5-(2-methoxy-5-octylphenyl)-1H-pyrazol-3-amine IUPAC Name: 4-iodo-5-(2-methoxy-5-octylphenyl)-1H-pyrazol-3-amine Traditional Name: [4-iodo-5-(2-methoxy-5-octyl-phenyl)-1H-pyrazol-3-yl]amine Formula: C18H26IN3O MolecularWeight: 427.32301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC)C2=C(C(=NN2)N)I

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC)C2=C(C(=NN2)N)I

InChI

InChI=1S/C18H26IN3O/c1-3-4-5-6-7-8-9-13-10-11-15(23-2)14(12-13)17-16(19)18(20)22-21-17/h10-12H,3-9H2,1-2H3,(H3,20,21,22)