1-phenethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-phenethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-phenethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide CAS Name: 1-phenethyl-N-propan-2-yl-N-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-4-triazolecarboxamide IUPAC Name: 1-phenethyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide Traditional Name: N-isopropyl-1-phenethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN(C(C)C)C(=O)C2=CN(N=N2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)CN(C(C)C)C(=O)C2=CN(N=N2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H28N6O/c1-15(2)27(13-19-16(3)23-25(5)17(19)4)21(28)20-14-26(24-22-20)12-11-18-9-7-6-8-10-18/h6-10,14-15H,11-13H2,1-5H3