1-[4-methyl-3-(3-methylbutoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-[4-methyl-3-(3-methylbutoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide Openeye Name: 1-[3-(isopentyloxymethyl)-4-methyl-phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide CAS Name: 1-[4-methyl-3-(3-methylbutoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide IUPAC Name: 1-[4-methyl-3-(3-methylbutoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide Traditional Name: 1-[3-(isoamoxymethyl)-4-methyl-phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide Formula: C22H26N4O2 MolecularWeight: 378.46744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NC(=N2)C(=O)N)C3=CC=CC=C3)COCCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NC(=N2)C(=O)N)C3=CC=CC=C3)COCCC(C)C

InChI

InChI=1S/C22H26N4O2/c1-15(2)11-12-28-14-18-13-19(10-9-16(18)3)26-22(17-7-5-4-6-8-17)24-21(25-26)20(23)27/h4-10,13,15H,11-12,14H2,1-3H3,(H2,23,27)