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

Systemtic Name: 5-[[(2S)-octan-2-yl]amino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[[(1S)-1-methylheptyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[(2S)-octan-2-yl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[(2S)-octan-2-yl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 4-keto-5-[[(1S)-1-methylheptyl]amino]-3H-phthalazin-1-olate Formula: C16H22N3O2- MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-3-4-5-6-8-11(2)17-13-10-7-9-12-14(13)16(21)19-18-15(12)20/h7,9-11,17H,3-6,8H2,1-2H3,(H,18,20)(H,19,21)/p-1/t11-/m0/s1