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

Systemtic Name: N-(cyanomethyl)-3-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanamide Openeye Name: N-(cyanomethyl)-3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanamide CAS Name: N-(cyanomethyl)-3-methyl-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]butanamide IUPAC Name: N-(cyanomethyl)-3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanamide Traditional Name: N-(cyanomethyl)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-3-methyl-butyramide Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC#N)NC(=O)CC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C)C(C(=O)NCC#N)NC(=O)CC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C17H19N5O3/c1-10(2)15(17(25)19-8-7-18)20-14(23)9-13-11-5-3-4-6-12(11)16(24)22-21-13/h3-6,10,15H,8-9H2,1-2H3,(H,19,25)(H,20,23)(H,22,24)