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

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-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-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NO3)C(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NO3)C(C)C

InChI

InChI=1S/C18H20N4O4/c1-4-9-22-17(23)13-8-6-5-7-12(13)15(20-22)18(24)25-10-14-19-16(11(2)3)21-26-14/h5-8,11H,4,9-10H2,1-3H3