N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: N-[[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]methyl]-2,3-dihydrobenzofuran-7-carboxamide CAS Name: N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: N-[[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]methyl]coumaran-7-carboxamide Formula: C17H15N5O2 MolecularWeight: 321.3333

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C21)C(=O)NCC3=NC(=NN3)C4=CC=NC=C4

Isomeric SMILES

C1COC2=C(C=CC=C21)C(=O)NCC3=NC(=NN3)C4=CC=NC=C4

InChI

InChI=1S/C17H15N5O2/c23-17(13-3-1-2-11-6-9-24-15(11)13)19-10-14-20-16(22-21-14)12-4-7-18-8-5-12/h1-5,7-8H,6,9-10H2,(H,19,23)(H,20,21,22)