1-(3-bromanylpyridin-4-yl)-2-[6-(4-chloranylphenoxy)hexyl]-3-cyano-guanidine

Systemtic Name: 1-(3-bromanylpyridin-4-yl)-2-[6-(4-chloranylphenoxy)hexyl]-3-cyano-guanidine Openeye Name: 1-(3-bromo-4-pyridyl)-2-[6-(4-chlorophenoxy)hexyl]-3-cyano-guanidine CAS Name: 1-(3-bromo-4-pyridinyl)-2-[6-(4-chlorophenoxy)hexyl]-3-cyanoguanidine IUPAC Name: 1-(3-bromopyridin-4-yl)-2-[6-(4-chlorophenoxy)hexyl]-3-cyanoguanidine Traditional Name: 1-(3-bromo-4-pyridyl)-2-[6-(4-chlorophenoxy)hexyl]-3-cyano-guanidine Formula: C19H21BrClN5O MolecularWeight: 450.75994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=C(C=NC=C2)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=C(C=NC=C2)Br)Cl

InChI

InChI=1S/C19H21BrClN5O/c20-17-13-23-11-9-18(17)26-19(25-14-22)24-10-3-1-2-4-12-27-16-7-5-15(21)6-8-16/h5-9,11,13H,1-4,10,12H2,(H2,23,24,25,26)