[(1S)-2-oxidanylidenecyclohexyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4/c24-17-12-6-7-13-18(17)27-21(26)19-15-10-4-5-11-16(15)20(25)23(22-19)14-8-2-1-3-9-14/h1-5,8-11,18H,6-7,12-13H2/t18-/m0/s1