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

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O4/c1-14(2)12-26-21(27)17-11-7-6-10-16(17)19(24-26)22(28)29-13-18-23-20(25-30-18)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3