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

Systemtic Name: butyl 2-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4/c1-2-3-15-32-22(30)18-11-6-7-12-19(18)26-23(31)25-14-8-13-24-20-16-9-4-5-10-17(16)21(29)28-27-20/h4-7,9-12H,2-3,8,13-15H2,1H3,(H,24,27)(H,28,29)(H2,25,26,31)