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

Systemtic Name: 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[5-(2-furylmethylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one CAS Name: 1-[5-(2-furanylmethylamino)-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one Traditional Name: 1-[5-(2-furfurylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-methyl-propan-1-one Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2/c1-11(2)15(22)21-16(18-10-13-6-4-8-23-13)19-14(20-21)12-5-3-7-17-9-12/h3-9,11H,10H2,1-2H3,(H,18,19,20)