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

Systemtic Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-N-methyl-N-(phenylmethyl)-1,2,4-triazole-3-carboxamide Openeye Name: N-benzyl-5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-N-methyl-1,2,4-triazole-3-carboxamide CAS Name: 5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-N-methyl-N-(phenylmethyl)-1,2,4-triazole-3-carboxamide IUPAC Name: N-benzyl-5-butyl-4-[[4-(2-cyanophenyl)phenyl]methyl]-N-methyl-1,2,4-triazole-3-carboxamide Traditional Name: N-benzyl-5-butyl-4-[4-(2-cyanophenyl)benzyl]-N-methyl-1,2,4-triazole-3-carboxamide Formula: C29H29N5O MolecularWeight: 463.57346

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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)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C29H29N5O/c1-3-4-14-27-31-32-28(29(35)33(2)20-22-10-6-5-7-11-22)34(27)21-23-15-17-24(18-16-23)26-13-9-8-12-25(26)19-30/h5-13,15-18H,3-4,14,20-21H2,1-2H3