N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(4-chloro-2,5-dimethoxy-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(4-chloro-2,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(4-chloro-2,5-dimethoxy-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C24H20ClN3O4 MolecularWeight: 449.8863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)OC)Cl

InChI

InChI=1S/C24H20ClN3O4/c1-31-20-13-19(21(32-2)12-18(20)25)26-23(29)22-16-10-6-7-11-17(16)24(30)28(27-22)14-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,26,29)