N-[(Z)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(2-chloro-6-fluoro-phenyl)methyleneamino]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[(Z)-(2-chloro-6-fluoro-benzylidene)amino]-4-keto-phthalazine-1-carboxamide Formula: C21H20ClFN4O2 MolecularWeight: 414.860503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H20ClFN4O2/c1-2-3-6-12-27-21(29)15-9-5-4-8-14(15)19(26-27)20(28)25-24-13-16-17(22)10-7-11-18(16)23/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,25,28)/b24-13-