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

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-methyl-N-(quinolin-4-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-N-methyl-N-(4-quinolylmethyl)triazole-4-carboxamide CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-N-(4-quinolinylmethyl)-4-triazolecarboxamide IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-N-(quinolin-4-ylmethyl)triazole-4-carboxamide Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-N-methyl-N-(4-quinolylmethyl)triazole-4-carboxamide Formula: C21H17ClFN5O MolecularWeight: 409.843983

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NC2=CC=CC=C12)C(=O)C3=CN(N=N3)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CN(CC1=CC=NC2=CC=CC=C12)C(=O)C3=CN(N=N3)CC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H17ClFN5O/c1-27(11-14-8-9-24-19-5-3-2-4-17(14)19)21(29)20-13-28(26-25-20)12-15-6-7-16(23)10-18(15)22/h2-10,13H,11-12H2,1H3