1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[5-(2-furylmethylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[5-(2-furanylmethylamino)-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[5-(2-furfurylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CO4

InChI

InChI=1S/C20H17N5O3/c26-18(14-28-16-7-2-1-3-8-16)25-20(22-13-17-9-5-11-27-17)23-19(24-25)15-6-4-10-21-12-15/h1-12H,13-14H2,(H,22,23,24)