4-(1,3-diethyl-2-oxidanylidene-imidazo[4,5-g]phthalazin-5-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(1,3-diethyl-2-oxidanylidene-imidazo[4,5-g]phthalazin-5-yl)piperazine-1-carboxylic acid Openeye Name: 4-(1,3-diethyl-2-oxo-imidazo[4,5-g]phthalazin-5-yl)piperazine-1-carboxylic acid CAS Name: 4-(1,3-diethyl-2-oxo-5-imidazo[4,5-g]phthalazinyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(1,3-diethyl-2-oxoimidazo[4,5-g]phthalazin-5-yl)piperazine-1-carboxylic acid Traditional Name: 4-(1,3-diethyl-2-keto-imidazo[4,5-g]phthalazin-5-yl)piperazine-1-carboxylic acid Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C3C(=C2)C=NN=C3N4CCN(CC4)C(=O)O)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C3C(=C2)C=NN=C3N4CCN(CC4)C(=O)O)N(C1=O)CC

InChI

InChI=1S/C18H22N6O3/c1-3-23-14-9-12-11-19-20-16(21-5-7-22(8-6-21)18(26)27)13(12)10-15(14)24(4-2)17(23)25/h9-11H,3-8H2,1-2H3,(H,26,27)