3-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C26H18N5O4- MolecularWeight: 464.45222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H19N5O4/c32-23(16-30-25(33)20-14-8-7-13-19(20)24(29-30)26(34)35)27-22-15-21(17-9-3-1-4-10-17)28-31(22)18-11-5-2-6-12-18/h1-15H,16H2,(H,27,32)(H,34,35)/p-1