[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H20FN3O4/c1-2-3-11-25-20(27)17-10-5-4-9-16(17)19(24-25)21(28)29-13-18(26)23-15-8-6-7-14(22)12-15/h4-10,12H,2-3,11,13H2,1H3,(H,23,26)