[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H31N3O4/c1-4-5-6-12-17-28-25(31)22-16-11-10-15-21(22)24(27-28)26(32)33-18-23(30)29(19(2)3)20-13-8-7-9-14-20/h7-11,13-16,19H,4-6,12,17-18H2,1-3H3