methyl 4-[[methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]amino]methyl]benzoate Traditional Name: 4-[[[1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN(C)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N4O4/c1-22-19(26)18-16-6-4-5-7-17(16)20(27)25(23-18)13-24(2)12-14-8-10-15(11-9-14)21(28)29-3/h4-11H,12-13H2,1-3H3,(H,22,26)