3-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(2,6-diethylanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(2,6-diethylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(2,6-diethylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(2,6-diethylanilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C21H20N3O4- MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-3-13-8-7-9-14(4-2)18(13)22-17(25)12-24-20(26)16-11-6-5-10-15(16)19(23-24)21(27)28/h5-11H,3-4,12H2,1-2H3,(H,22,25)(H,27,28)/p-1