3-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H16FN3O4 MolecularWeight: 381.357143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C20H16FN3O4/c21-12-7-5-11(6-8-12)17(18(25)22-13-9-10-13)24-19(26)15-4-2-1-3-14(15)16(23-24)20(27)28/h1-8,13,17H,9-10H2,(H,22,25)(H,27,28)