3-[2-[(2,5-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[(2,5-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-(2,5-diethoxyanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-(2,5-diethoxyanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-(2,5-diethoxyanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-(2,5-diethoxyanilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C21H22N4O5/c1-3-29-13-9-10-17(30-4-2)16(11-13)23-18(26)12-25-21(28)15-8-6-5-7-14(15)19(24-25)20(22)27/h5-11H,3-4,12H2,1-2H3,(H2,22,27)(H,23,26)