[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H18N4O5/c1-3-9(2)17-16(24)18-12(21)8-25-15(23)13-10-6-4-5-7-11(10)14(22)20-19-13/h4-7,9H,3,8H2,1-2H3,(H,20,22)(H2,17,18,21,24)/t9-/m0/s1