1-ethyl-N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[[2-(3-fluorophenoxy)pyridin-3-yl]methyl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]benzotriazole-5-carboxamide Formula: C21H18FN5O2 MolecularWeight: 391.398323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)OC4=CC(=CC=C4)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)OC4=CC(=CC=C4)F)N=N1

InChI

InChI=1S/C21H18FN5O2/c1-2-27-19-9-8-14(11-18(19)25-26-27)20(28)24-13-15-5-4-10-23-21(15)29-17-7-3-6-16(22)12-17/h3-12H,2,13H2,1H3,(H,24,28)