methyl 4-[[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O4/c1-23-19(25)16-6-4-3-5-15(16)17(22-23)11-18(24)21-12-13-7-9-14(10-8-13)20(26)27-2/h3-10H,11-12H2,1-2H3,(H,21,24)