(2S)-N-(3-acetamidophenyl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanamide

Systemtic Name: (2S)-N-(3-acetamidophenyl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanamide Openeye Name: (2S)-N-(3-acetamidophenyl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide CAS Name: (2S)-N-(3-acetamidophenyl)-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]propanamide IUPAC Name: (2S)-N-(3-acetamidophenyl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide Traditional Name: (2S)-N-(3-acetamidophenyl)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]propionamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)NC(=O)C)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H21N5O4/c1-12(20(29)24-15-7-5-6-14(10-15)23-13(2)27)22-19(28)11-18-16-8-3-4-9-17(16)21(30)26-25-18/h3-10,12H,11H2,1-2H3,(H,22,28)(H,23,27)(H,24,29)(H,26,30)/t12-/m0/s1