5-[[(2S,6S)-2,6-dimethylcyclohexyl]amino]-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-[[(2S,6S)-2,6-dimethylcyclohexyl]amino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[[(2S,6S)-2,6-dimethylcyclohexyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[(2S,6S)-2,6-dimethylcyclohexyl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[(2S,6S)-2,6-dimethylcyclohexyl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 5-[[(2S,6S)-2,6-dimethylcyclohexyl]amino]-4-keto-3H-phthalazin-1-olate Formula: C16H20N3O2- MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1NC2=CC=CC3=C2C(=O)NN=C3[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H](C1NC2=CC=CC3=C2C(=O)NN=C3[O-])C

InChI

InChI=1S/C16H21N3O2/c1-9-5-3-6-10(2)14(9)17-12-8-4-7-11-13(12)16(21)19-18-15(11)20/h4,7-10,14,17H,3,5-6H2,1-2H3,(H,18,20)(H,19,21)/p-1/t9-,10-/m0/s1