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

Systemtic Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-N-(phenylmethyl)-1,2,4-triazole-3-carboxamide Openeye Name: N-benzyl-5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-1,2,4-triazole-3-carboxamide CAS Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-N-(phenylmethyl)-1,2,4-triazole-3-carboxamide IUPAC Name: N-benzyl-5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-1,2,4-triazole-3-carboxamide Traditional Name: N-benzyl-5-butyl-4-[4-(2-cyanophenyl)benzyl]-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)NCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H27N5O/c1-2-3-13-26-31-32-27(28(34)30-19-21-9-5-4-6-10-21)33(26)20-22-14-16-23(17-15-22)25-12-8-7-11-24(25)18-29/h4-12,14-17H,2-3,13,19-20H2,1H3,(H,30,34)