3-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[5-(4-chlorophenyl)-2-furanyl]methyl-methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H18ClN3O5 MolecularWeight: 451.85912

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Cl)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Cl)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C23H18ClN3O5/c1-26(12-16-10-11-19(32-16)14-6-8-15(24)9-7-14)20(28)13-27-22(29)18-5-3-2-4-17(18)21(25-27)23(30)31/h2-11H,12-13H2,1H3,(H,30,31)