N-[[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2,6-diethyl-3-iodanyl-pyridin-4-amine hydrochloride

Systemtic Name: N-[[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2,6-diethyl-3-iodanyl-pyridin-4-amine hydrochloride Openeye Name: N-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]methyl]-2,6-diethyl-3-iodo-pyridin-4-amine hydrochloride CAS Name: N-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]methyl]-2,6-diethyl-3-iodo-4-pyridinamine hydrochloride IUPAC Name: N-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2,6-diethyl-3-iodopyridin-4-amine hydrochloride Traditional Name: [3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]methyl-(2,6-diethyl-3-iodo-4-pyridyl)amine hydrochloride Formula: C25H23BrClIN6O MolecularWeight: 665.75119

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=C1)NCC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5)I)CC.Cl

Isomeric SMILES

CCC1=NC(=C(C(=C1)NCC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5)I)CC.Cl

InChI

InChI=1S/C25H22BrIN6O.ClH/c1-3-15-12-20(23(27)19(4-2)29-15)28-13-14-9-10-21-18(11-14)22(26)24(34-21)16-7-5-6-8-17(16)25-30-32-33-31-25;/h5-12H,3-4,13H2,1-2H3,(H,28,29)(H,30,31,32,33);1H