[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C20H17ClN4O4 MolecularWeight: 412.82638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN4O4/c1-24-19(27)14-5-3-2-4-13(14)18(23-24)20(28)29-11-17-22-15-7-6-12(21)10-16(15)25(17)8-9-26/h2-7,10,26H,8-9,11H2,1H3