5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-N-methyl-N-phenyl-1,2,4-triazole-3-carboxamide

Systemtic Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-N-methyl-N-phenyl-1,2,4-triazole-3-carboxamide Openeye Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-N-methyl-N-phenyl-1,2,4-triazole-3-carboxamide CAS Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-N-methyl-N-phenyl-1,2,4-triazole-3-carboxamide IUPAC Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-N-methyl-N-phenyl-1,2,4-triazole-3-carboxamide Traditional Name: 5-butyl-4-[4-(2-cyanophenyl)benzyl]-N-methyl-N-phenyl-1,2,4-triazole-3-carboxamide Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)N(C)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)N(C)C4=CC=CC=C4

InChI

InChI=1S/C28H27N5O/c1-3-4-14-26-30-31-27(28(34)32(2)24-11-6-5-7-12-24)33(26)20-21-15-17-22(18-16-21)25-13-9-8-10-23(25)19-29/h5-13,15-18H,3-4,14,20H2,1-2H3