N-heptan-2-yl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-heptan-2-yl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(1-methylhexyl)-2-phenyl-triazole-4-carboxamide CAS Name: N-heptan-2-yl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-heptan-2-yl-2-phenyltriazole-4-carboxamide Traditional Name: N-(1-methylhexyl)-2-phenyl-triazole-4-carboxamide Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=NN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(C)NC(=O)C1=NN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H22N4O/c1-3-4-6-9-13(2)18-16(21)15-12-17-20(19-15)14-10-7-5-8-11-14/h5,7-8,10-13H,3-4,6,9H2,1-2H3,(H,18,21)