ethyl 2-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzoate

Systemtic Name: ethyl 2-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzoate Openeye Name: ethyl 2-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzoate CAS Name: 2-[[oxo-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzoate Traditional Name: 2-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzoic acid ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H23N5O4/c1-2-30-20(28)16-10-5-6-11-17(16)24-21(29)23-13-7-12-22-18-14-8-3-4-9-15(14)19(27)26-25-18/h3-6,8-11H,2,7,12-13H2,1H3,(H,22,25)(H,26,27)(H2,23,24,29)