N-(5-bromanyl-6-pyridin-4-yl-pyridin-2-yl)-1-(2-methylphenyl)propane-1,3-diamine

Systemtic Name: N-(5-bromanyl-6-pyridin-4-yl-pyridin-2-yl)-1-(2-methylphenyl)propane-1,3-diamine Openeye Name: N-[5-bromo-6-(4-pyridyl)-2-pyridyl]-1-(o-tolyl)propane-1,3-diamine CAS Name: N-(5-bromo-6-pyridin-4-yl-2-pyridinyl)-1-(2-methylphenyl)propane-1,3-diamine IUPAC Name: N-(5-bromo-6-pyridin-4-ylpyridin-2-yl)-1-(2-methylphenyl)propane-1,3-diamine Traditional Name: [3-amino-1-(o-tolyl)propyl]-[5-bromo-6-(4-pyridyl)-2-pyridyl]amine Formula: C20H21BrN4 MolecularWeight: 397.31154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCN)NC2=NC(=C(C=C2)Br)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC=C1C(CCN)NC2=NC(=C(C=C2)Br)C3=CC=NC=C3

InChI

InChI=1S/C20H21BrN4/c1-14-4-2-3-5-16(14)18(8-11-22)24-19-7-6-17(21)20(25-19)15-9-12-23-13-10-15/h2-7,9-10,12-13,18H,8,11,22H2,1H3,(H,24,25)