[5-(5-bromanylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [5-(5-bromanylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [5-(5-bromo-2-furyl)-1,3,4-oxadiazol-2-yl]methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [5-(5-bromo-2-furanyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [5-(5-bromo-2-furyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H19BrN4O5 MolecularWeight: 487.30336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=C(O3)C4=CC=C(O4)Br

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=C(O3)C4=CC=C(O4)Br

InChI

InChI=1S/C21H19BrN4O5/c1-2-3-6-11-26-20(27)14-8-5-4-7-13(14)18(25-26)21(28)29-12-17-23-24-19(31-17)15-9-10-16(22)30-15/h4-5,7-10H,2-3,6,11-12H2,1H3