1-[3-(2-chloranylpyridin-4-yl)-1H-1,2,4-triazol-5-yl]-N-phenyl-propane-1,3-diamine

Systemtic Name: 1-[3-(2-chloranylpyridin-4-yl)-1H-1,2,4-triazol-5-yl]-N-phenyl-propane-1,3-diamine Openeye Name: 1-[3-(2-chloro-4-pyridyl)-1H-1,2,4-triazol-5-yl]-N-phenyl-propane-1,3-diamine CAS Name: 1-[3-(2-chloro-4-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-phenylpropane-1,3-diamine IUPAC Name: 1-[3-(2-chloropyridin-4-yl)-1H-1,2,4-triazol-5-yl]-N-phenylpropane-1,3-diamine Traditional Name: [3-amino-1-[3-(2-chloro-4-pyridyl)-1H-1,2,4-triazol-5-yl]propyl]-phenyl-amine Formula: C16H17ClN6 MolecularWeight: 328.79938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(CCN)C2=NC(=NN2)C3=CC(=NC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(CCN)C2=NC(=NN2)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C16H17ClN6/c17-14-10-11(7-9-19-14)15-21-16(23-22-15)13(6-8-18)20-12-4-2-1-3-5-12/h1-5,7,9-10,13,20H,6,8,18H2,(H,21,22,23)