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

Systemtic Name: 1-[(2-methylphenyl)methyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(o-tolylmethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]triazole-4-carboxamide CAS Name: 1-[(2-methylphenyl)methyl]-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-methylphenyl)methyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]triazole-4-carboxamide Traditional Name: 1-(2-methylbenzyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]triazole-4-carboxamide Formula: C22H22N6O MolecularWeight: 386.44968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NCCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O/c1-17-7-5-6-8-19(17)15-27-16-21(25-26-27)22(29)23-12-11-18-13-24-28(14-18)20-9-3-2-4-10-20/h2-10,13-14,16H,11-12,15H2,1H3,(H,23,29)