[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

InChI

InChI=1S/C23H22N4O4/c1-13(2)12-27-22(29)16-9-5-4-8-15(16)19(26-27)23(30)31-14(3)20-24-18-11-7-6-10-17(18)21(28)25-20/h4-11,13-14H,12H2,1-3H3,(H,24,25,28)/t14-/m1/s1