[2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(2,6-difluoroanilino)-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [2-(2,6-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-difluoroanilino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [2-(2,6-difluoroanilino)-2-keto-ethyl] ester Formula: C21H19F2N3O4 MolecularWeight: 415.390066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC=C3F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC=C3F)F

InChI

InChI=1S/C21H19F2N3O4/c1-2-3-11-26-20(28)14-8-5-4-7-13(14)18(25-26)21(29)30-12-17(27)24-19-15(22)9-6-10-16(19)23/h4-10H,2-3,11-12H2,1H3,(H,24,27)