(5-chloranyl-1-methyl-imidazol-2-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H17ClN4O3/c1-25-17(22)11-23-18(25)13-29-21(28)19-15-9-5-6-10-16(15)20(27)26(24-19)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3