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

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NO3)C(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NO3)C(C)C

InChI

InChI=1S/C20H24N4O4/c1-4-5-8-11-24-19(25)15-10-7-6-9-14(15)17(22-24)20(26)27-12-16-21-18(13(2)3)23-28-16/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3