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

Systemtic Name: methyl 4-[[2-[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[1-keto-4-(methylcarbamoyl)phthalazin-2-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N4O5/c1-22-19(27)18-15-5-3-4-6-16(15)20(28)25(24-18)12-17(26)23-11-13-7-9-14(10-8-13)21(29)30-2/h3-10H,11-12H2,1-2H3,(H,22,27)(H,23,26)