diethyl 2-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoylamino]pentanedioate

Systemtic Name: diethyl 2-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoylamino]pentanedioate Openeye Name: diethyl 2-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoylamino]pentanedioate CAS Name: 2-[[oxo-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoylamino]pentanedioate Traditional Name: 2-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylcarbamoylamino]glutaric acid diethyl ester Formula: C21H29N5O6 MolecularWeight: 447.48486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)NCCCNC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)NCCCNC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C21H29N5O6/c1-3-31-17(27)11-10-16(20(29)32-4-2)24-21(30)23-13-7-12-22-18-14-8-5-6-9-15(14)19(28)26-25-18/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3,(H,22,25)(H,26,28)(H2,23,24,30)