1-[2-(2,3-dihydro-1-benzofuran-2-ylcarbonylamino)ethyl]-N-(4-methoxyphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-(2,3-dihydro-1-benzofuran-2-ylcarbonylamino)ethyl]-N-(4-methoxyphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-(2,3-dihydrobenzofuran-2-carbonylamino)ethyl]-N-(4-methoxyphenyl)triazole-4-carboxamide CAS Name: 1-[2-[[2,3-dihydrobenzofuran-2-yl(oxo)methyl]amino]ethyl]-N-(4-methoxyphenyl)-4-triazolecarboxamide IUPAC Name: 1-[2-(2,3-dihydro-1-benzofuran-2-carbonylamino)ethyl]-N-(4-methoxyphenyl)triazole-4-carboxamide Traditional Name: 1-[2-(coumaran-2-carbonylamino)ethyl]-N-(4-methoxyphenyl)triazole-4-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CN(N=N2)CCNC(=O)C3CC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CN(N=N2)CCNC(=O)C3CC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N5O4/c1-29-16-8-6-15(7-9-16)23-20(27)17-13-26(25-24-17)11-10-22-21(28)19-12-14-4-2-3-5-18(14)30-19/h2-9,13,19H,10-12H2,1H3,(H,22,28)(H,23,27)