2-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-5-(hydroxymethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-5-(hydroxymethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-5-(hydroxymethyl)triazole-4-carboxamide CAS Name: 2-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-5-(hydroxymethyl)-4-triazolecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]-5-(hydroxymethyl)triazole-4-carboxamide Traditional Name: N-(4-ethylbenzyl)-5-methylol-2-p-phenetyl-triazole-4-carboxamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=NN(N=C2CO)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=NN(N=C2CO)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H24N4O3/c1-3-15-5-7-16(8-6-15)13-22-21(27)20-19(14-26)23-25(24-20)17-9-11-18(12-10-17)28-4-2/h5-12,26H,3-4,13-14H2,1-2H3,(H,22,27)