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

Systemtic Name: 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[5-(2-furylmethylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[5-(2-furanylmethylamino)-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-phenoxy-1-propanone IUPAC Name: 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[5-(2-furfurylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenoxy-propan-1-one Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=CO3)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=CO3)OC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3/c1-15(29-17-8-3-2-4-9-17)20(27)26-21(23-14-18-10-6-12-28-18)24-19(25-26)16-7-5-11-22-13-16/h2-13,15H,14H2,1H3,(H,23,24,25)