methyl 3-[[2,2-dimethyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]carbamoylamino]benzoate

Systemtic Name: methyl 3-[[2,2-dimethyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]carbamoylamino]benzoate Openeye Name: methyl 3-[[2,2-dimethyl-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]carbamoylamino]benzoate CAS Name: 3-[[[[2,2-dimethyl-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2,2-dimethyl-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]carbamoylamino]benzoate Traditional Name: 3-[[3-[(4-keto-3H-phthalazin-1-yl)amino]-2,2-dimethyl-propyl]carbamoylamino]benzoic acid methyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=NNC(=O)C2=CC=CC=C21)CNC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC(C)(CNC1=NNC(=O)C2=CC=CC=C21)CNC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H25N5O4/c1-22(2,12-23-18-16-9-4-5-10-17(16)19(28)27-26-18)13-24-21(30)25-15-8-6-7-14(11-15)20(29)31-3/h4-11H,12-13H2,1-3H3,(H,23,26)(H,27,28)(H2,24,25,30)