N-(2-methylpropyl)-1-[4-(3-pyridin-3-ylpropanoylamino)cyclohexyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-[4-(3-pyridin-3-ylpropanoylamino)cyclohexyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-isobutyl-1-[4-[3-(3-pyridyl)propanoylamino]cyclohexyl]triazole-4-carboxamide CAS Name: N-(2-methylpropyl)-1-[4-[[1-oxo-3-(3-pyridinyl)propyl]amino]cyclohexyl]-4-triazolecarboxamide IUPAC Name: N-(2-methylpropyl)-1-[4-(3-pyridin-3-ylpropanoylamino)cyclohexyl]triazole-4-carboxamide Traditional Name: N-isobutyl-1-[4-[3-(3-pyridyl)propanoylamino]cyclohexyl]triazole-4-carboxamide Formula: C21H30N6O2 MolecularWeight: 398.5019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(N=N1)C2CCC(CC2)NC(=O)CCC3=CN=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C1=CN(N=N1)C2CCC(CC2)NC(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C21H30N6O2/c1-15(2)12-23-21(29)19-14-27(26-25-19)18-8-6-17(7-9-18)24-20(28)10-5-16-4-3-11-22-13-16/h3-4,11,13-15,17-18H,5-10,12H2,1-2H3,(H,23,29)(H,24,28)