N-[(4-methylphenyl)methyl]-1-[2-(3-pyridin-3-ylpropanoylamino)ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-1-[2-(3-pyridin-3-ylpropanoylamino)ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(p-tolylmethyl)-1-[2-[3-(3-pyridyl)propanoylamino]ethyl]triazole-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-[2-[[1-oxo-3-(3-pyridinyl)propyl]amino]ethyl]-4-triazolecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-[2-(3-pyridin-3-ylpropanoylamino)ethyl]triazole-4-carboxamide Traditional Name: N-(4-methylbenzyl)-1-[2-[3-(3-pyridyl)propanoylamino]ethyl]triazole-4-carboxamide Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CN(N=N2)CCNC(=O)CCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CN(N=N2)CCNC(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C21H24N6O2/c1-16-4-6-18(7-5-16)14-24-21(29)19-15-27(26-25-19)12-11-23-20(28)9-8-17-3-2-10-22-13-17/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H,23,28)(H,24,29)