4-oxidanylidene-3-[2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl]phthalazine-1-carboxylate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl]phthalazine-1-carboxylate Openeye Name: 3-[2-[[(1R)-1-methylbutyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[[(1R)-1-methylbutyl]amino]ethyl]phthalazine-1-carboxylate Formula: C16H18N3O4- MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

CCC[C@@H](C)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-3-6-10(2)17-13(20)9-19-15(21)12-8-5-4-7-11(12)14(18-19)16(22)23/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,20)(H,22,23)/p-1/t10-/m1/s1