N-[(E)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-(5-bromo-2-fluoro-phenyl)methyleneamino]-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-(5-bromo-2-fluoro-benzylidene)amino]-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C20H18BrFN4O2 MolecularWeight: 445.284923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C20H18BrFN4O2/c1-2-3-10-26-20(28)16-7-5-4-6-15(16)18(25-26)19(27)24-23-12-13-11-14(21)8-9-17(13)22/h4-9,11-12H,2-3,10H2,1H3,(H,24,27)/b23-12+