3-(4-fluoranylphenoxy)propyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-(4-fluoranylphenoxy)propyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-(4-fluorophenoxy)propyl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid 3-(4-fluorophenoxy)propyl ester Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCOC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O4/c1-15(2)14-25-21(26)19-7-4-3-6-18(19)20(24-25)22(27)29-13-5-12-28-17-10-8-16(23)9-11-17/h3-4,6-11,15H,5,12-14H2,1-2H3