1-[3-(furan-2-yl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[3-(furan-2-yl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[5-(benzylamino)-3-(2-furyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-[3-(2-furanyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-methylbutan-1-one Traditional Name: 1-[5-(benzylamino)-3-(2-furyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(=NC(=N1)C2=CC=CO2)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1C(=NC(=N1)C2=CC=CO2)NCC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2/c1-13(2)11-16(23)22-18(19-12-14-7-4-3-5-8-14)20-17(21-22)15-9-6-10-24-15/h3-10,13H,11-12H2,1-2H3,(H,19,20,21)