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

Systemtic Name: 1-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[5-(2-furylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[5-(2-furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[5-(2-furfurylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CO4

InChI

InChI=1S/C22H20N4O3/c1-28-18-11-9-16(10-12-18)14-20(27)26-22(23-15-19-8-5-13-29-19)24-21(25-26)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,23,24,25)