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

Systemtic Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H22N4O4 MolecularWeight: 370.40238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4/c1-4-9-23-18(24)14-8-6-5-7-13(14)17(21-23)19(25)26-11-16-20-15(22-27-16)10-12(2)3/h5-8,12H,4,9-11H2,1-3H3