[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C28H32N2O4/c1-2-3-9-18-30-27(32)24-13-8-7-12-23(24)26(29-30)28(33)34-19-25(31)22-16-14-21(15-17-22)20-10-5-4-6-11-20/h7-8,12-17,20H,2-6,9-11,18-19H2,1H3