diethyl 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-3-oxidanylidene-butanedioate

Systemtic Name: diethyl 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-3-oxidanylidene-butanedioate Openeye Name: diethyl 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-3-oxo-butanedioate CAS Name: 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-3-oxobutanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-phthalazin-1-yl]-3-oxobutanedioate Traditional Name: 2-[2-(2-imidazolin-2-yl)-1H-phthalazin-1-yl]-3-keto-succinic acid diethyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C2=CC=CC=C2C=NN1C3=NCCN3)C(=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1C2=CC=CC=C2C=NN1C3=NCCN3)C(=O)C(=O)OCC

InChI

InChI=1S/C19H22N4O5/c1-3-27-17(25)14(16(24)18(26)28-4-2)15-13-8-6-5-7-12(13)11-22-23(15)19-20-9-10-21-19/h5-8,11,14-15H,3-4,9-10H2,1-2H3,(H,20,21)