N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(4-fluoro-3-morpholinosulfonyl-phenyl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(4-fluoro-3-morpholinosulfonyl-phenyl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C22H23FN4O5S MolecularWeight: 474.505223

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H23FN4O5S/c1-2-9-27-22(29)17-6-4-3-5-16(17)20(25-27)21(28)24-15-7-8-18(23)19(14-15)33(30,31)26-10-12-32-13-11-26/h3-8,14H,2,9-13H2,1H3,(H,24,28)