2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(4-phenylbutyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(4-phenylbutyl)-1,2,3-triazole-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(4-phenylbutyl)triazole-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(4-phenylbutyl)-4-triazolecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(4-phenylbutyl)triazole-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-5-methylol-N-(4-phenylbutyl)triazole-4-carboxamide Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2N=C(C(=N2)C(=O)NCCCCC3=CC=CC=C3)CO)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2N=C(C(=N2)C(=O)NCCCCC3=CC=CC=C3)CO)C

InChI

InChI=1S/C22H26N4O2/c1-16-11-12-19(14-17(16)2)26-24-20(15-27)21(25-26)22(28)23-13-7-6-10-18-8-4-3-5-9-18/h3-5,8-9,11-12,14,27H,6-7,10,13,15H2,1-2H3,(H,23,28)