ethyl 2-[3-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[2-(3,5-dimethylanilino)-2-oxo-ethyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-[2-(3,5-dimethylanilino)-2-keto-ethyl]-4-keto-phthalazin-1-yl]acetic acid ethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H23N3O4/c1-4-29-21(27)12-19-17-7-5-6-8-18(17)22(28)25(24-19)13-20(26)23-16-10-14(2)9-15(3)11-16/h5-11H,4,12-13H2,1-3H3,(H,23,26)