N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[2-morpholino-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Formula: C25H27F3N4O3 MolecularWeight: 488.50209

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4

InChI

InChI=1S/C25H27F3N4O3/c1-2-3-6-11-32-24(34)19-8-5-4-7-18(19)22(30-32)23(33)29-20-16-17(25(26,27)28)9-10-21(20)31-12-14-35-15-13-31/h4-5,7-10,16H,2-3,6,11-15H2,1H3,(H,29,33)