[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C23H23FN2O4 MolecularWeight: 410.438123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN2O4/c1-15(2)14-26-22(28)19-7-4-3-6-18(19)21(25-26)23(29)30-13-5-8-20(27)16-9-11-17(24)12-10-16/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3