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

Systemtic Name: N-(cyanomethyl)-3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanamide Openeye Name: N-(cyanomethyl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide CAS Name: N-(cyanomethyl)-3-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide Traditional Name: N-(cyanomethyl)-3-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]propionamide Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NCCC(=O)NCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NCCC(=O)NCC#N

InChI

InChI=1S/C15H15N5O3/c16-6-8-18-13(21)5-7-17-14(22)9-12-10-3-1-2-4-11(10)15(23)20-19-12/h1-4H,5,7-9H2,(H,17,22)(H,18,21)(H,20,23)