dimethyl 5-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C22H23N5O6/c1-32-20(29)13-10-14(21(30)33-2)12-15(11-13)25-22(31)24-9-5-8-23-18-16-6-3-4-7-17(16)19(28)27-26-18/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,23,26)(H,27,28)(H2,24,25,31)