N-[(E)-[2,6-bis(fluoranyl)phenyl]methylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-[2,6-bis(fluoranyl)phenyl]methylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(E)-(2,6-difluorophenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(E)-(2,6-difluorophenyl)methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(E)-(2,6-difluorophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(E)-(2,6-difluorobenzylidene)amino]-4-keto-phthalazine-1-carboxamide Formula: C20H18F2N4O2 MolecularWeight: 384.379326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=C(C=CC=C3F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=C(C=CC=C3F)F

InChI

InChI=1S/C20H18F2N4O2/c1-2-3-11-26-20(28)14-8-5-4-7-13(14)18(25-26)19(27)24-23-12-15-16(21)9-6-10-17(15)22/h4-10,12H,2-3,11H2,1H3,(H,24,27)/b23-12+