3-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[cyclohexyl(methyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C18H20N3O4- MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CN(C1CCCCC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C18H21N3O4/c1-20(12-7-3-2-4-8-12)15(22)11-21-17(23)14-10-6-5-9-13(14)16(19-21)18(24)25/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,24,25)/p-1