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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c1-9(2)7-8-10(3)16-12-6-4-5-11-13(12)15(20)18-17-14(11)19/h4-6,9-10,16H,7-8H2,1-3H3,(H,17,19)(H,18,20)/p-1/t10-/m0/s1