1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(1-pyrimidin-4-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(1-pyrimidin-4-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-N-(1-pyrimidin-4-ylethyl)triazole-4-carboxamide CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-N-[1-(4-pyrimidinyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-N-(1-pyrimidin-4-ylethyl)triazole-4-carboxamide Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-N-[1-(4-pyrimidyl)ethyl]triazole-4-carboxamide Formula: C16H14ClFN6O MolecularWeight: 360.773363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)NC(=O)C2=CN(N=N2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC(C1=NC=NC=C1)NC(=O)C2=CN(N=N2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H14ClFN6O/c1-10(14-4-5-19-9-20-14)21-16(25)15-8-24(23-22-15)7-11-2-3-12(18)6-13(11)17/h2-6,8-10H,7H2,1H3,(H,21,25)