5-[[(2S)-heptan-2-yl]amino]-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-[[(2S)-heptan-2-yl]amino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[[(1S)-1-methylhexyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[(2S)-heptan-2-yl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[(2S)-heptan-2-yl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 4-keto-5-[[(1S)-1-methylhexyl]amino]-3H-phthalazin-1-olate Formula: C15H20N3O2- MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=CC=CC2=C1C(=O)NN=C2[O-]

Isomeric SMILES

CCCCC[C@H](C)NC1=CC=CC2=C1C(=O)NN=C2[O-]

InChI

InChI=1S/C15H21N3O2/c1-3-4-5-7-10(2)16-12-9-6-8-11-13(12)15(20)18-17-14(11)19/h6,8-10,16H,3-5,7H2,1-2H3,(H,17,19)(H,18,20)/p-1/t10-/m0/s1