4-(5-chloranyl-1,3-diethyl-2-oxidanylidene-imidazo[4,5-g]phthalazin-8-yl)piperazine-1-carboxylic acid

Systemtic Name: 4-(5-chloranyl-1,3-diethyl-2-oxidanylidene-imidazo[4,5-g]phthalazin-8-yl)piperazine-1-carboxylic acid Openeye Name: 4-(5-chloro-1,3-diethyl-2-oxo-imidazo[4,5-g]phthalazin-8-yl)piperazine-1-carboxylic acid CAS Name: 4-(5-chloro-1,3-diethyl-2-oxo-8-imidazo[4,5-g]phthalazinyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(5-chloro-1,3-diethyl-2-oxoimidazo[4,5-g]phthalazin-8-yl)piperazine-1-carboxylic acid Traditional Name: 4-(5-chloro-1,3-diethyl-2-keto-imidazo[4,5-g]phthalazin-8-yl)piperazine-1-carboxylic acid Formula: C18H21ClN6O3 MolecularWeight: 404.85074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C3C(=C2)C(=NN=C3Cl)N4CCN(CC4)C(=O)O)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C3C(=C2)C(=NN=C3Cl)N4CCN(CC4)C(=O)O)N(C1=O)CC

InChI

InChI=1S/C18H21ClN6O3/c1-3-24-13-9-11-12(10-14(13)25(4-2)17(24)26)16(21-20-15(11)19)22-5-7-23(8-6-22)18(27)28/h9-10H,3-8H2,1-2H3,(H,27,28)