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

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C25H19ClN4O4 MolecularWeight: 474.89576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NC5=C(N4CCO)C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NC5=C(N4CCO)C=C(C=C5)Cl

InChI

InChI=1S/C25H19ClN4O4/c26-16-10-11-20-21(14-16)29(12-13-31)22(27-20)15-34-25(33)23-18-8-4-5-9-19(18)24(32)30(28-23)17-6-2-1-3-7-17/h1-11,14,31H,12-13,15H2