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

Systemtic Name: 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[5-(2-furylmethylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[5-(2-furanylmethylamino)-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-phenylethanone IUPAC Name: 1-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenylethanone Traditional Name: 1-[5-(2-furfurylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O2/c26-18(12-15-6-2-1-3-7-15)25-20(22-14-17-9-5-11-27-17)23-19(24-25)16-8-4-10-21-13-16/h1-11,13H,12,14H2,(H,22,23,24)