[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(cyclopropylamino)-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C26H28FN3O4 MolecularWeight: 465.516623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C3=CC=C(C=C3)F)C(=O)NC4CC4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C3=CC=C(C=C3)F)C(=O)NC4CC4

InChI

InChI=1S/C26H28FN3O4/c1-2-3-4-7-16-30-25(32)21-9-6-5-8-20(21)22(29-30)26(33)34-23(24(31)28-19-14-15-19)17-10-12-18(27)13-11-17/h5-6,8-13,19,23H,2-4,7,14-16H2,1H3,(H,28,31)