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

Systemtic Name: N-butyl-1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-benzyl-N-butyl-1-[(2-chloro-4-fluoro-phenyl)methyl]triazole-4-carboxamide CAS Name: N-butyl-1-[(2-chloro-4-fluorophenyl)methyl]-N-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: N-benzyl-N-butyl-1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carboxamide Traditional Name: N-benzyl-N-butyl-1-(2-chloro-4-fluoro-benzyl)triazole-4-carboxamide Formula: C21H22ClFN4O MolecularWeight: 400.876983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C2=CN(N=N2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)C2=CN(N=N2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H22ClFN4O/c1-2-3-11-26(13-16-7-5-4-6-8-16)21(28)20-15-27(25-24-20)14-17-9-10-18(23)12-19(17)22/h4-10,12,15H,2-3,11,13-14H2,1H3