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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-isopentyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isoamyl-4-keto-phthalazine-1-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4/c1-15(2)12-13-27-22(28)18-11-7-6-10-17(18)20(26-27)23(29)30-14-19-24-25-21(31-19)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3