N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N4O3/c1-21(2,3)14-10-8-13(9-11-14)18-22-20(25-24-18)23-19(26)17-12-27-15-6-4-5-7-16(15)28-17/h4-11,17H,12H2,1-3H3,(H2,22,23,24,25,26)