N1-[5-(4-chloranyl-3-fluoranyl-phenyl)-6-pyridin-4-yl-pyridin-2-yl]-3-phenyl-propane-1,2-diamine

Systemtic Name: N1-[5-(4-chloranyl-3-fluoranyl-phenyl)-6-pyridin-4-yl-pyridin-2-yl]-3-phenyl-propane-1,2-diamine Openeye Name: N1-[5-(4-chloro-3-fluoro-phenyl)-6-(4-pyridyl)-2-pyridyl]-3-phenyl-propane-1,2-diamine CAS Name: N1-[5-(4-chloro-3-fluorophenyl)-6-pyridin-4-yl-2-pyridinyl]-3-phenylpropane-1,2-diamine IUPAC Name: 1-N-[5-(4-chloro-3-fluorophenyl)-6-pyridin-4-ylpyridin-2-yl]-3-phenylpropane-1,2-diamine Traditional Name: (2-amino-3-phenyl-propyl)-[5-(4-chloro-3-fluoro-phenyl)-6-(4-pyridyl)-2-pyridyl]amine Formula: C25H22ClFN4 MolecularWeight: 432.920383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CNC2=NC(=C(C=C2)C3=CC(=C(C=C3)Cl)F)C4=CC=NC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CC(CNC2=NC(=C(C=C2)C3=CC(=C(C=C3)Cl)F)C4=CC=NC=C4)N

InChI

InChI=1S/C25H22ClFN4/c26-22-8-6-19(15-23(22)27)21-7-9-24(31-25(21)18-10-12-29-13-11-18)30-16-20(28)14-17-4-2-1-3-5-17/h1-13,15,20H,14,16,28H2,(H,30,31)