3-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(4-cyclohexylphenyl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-cyclohexylphenyl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C23H22N2O4/c26-20(17-12-10-16(11-13-17)15-6-2-1-3-7-15)14-25-22(27)19-9-5-4-8-18(19)21(24-25)23(28)29/h4-5,8-13,15H,1-3,6-7,14H2,(H,28,29)