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

Systemtic Name: 5-[[(3S,5S)-5-methylheptan-3-yl]amino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[[(1S,3S)-1-ethyl-3-methyl-pentyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[(3S,5S)-5-methylheptan-3-yl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[(3S,5S)-5-methylheptan-3-yl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 5-[[(1S,3S)-1-ethyl-3-methyl-pentyl]amino]-4-keto-3H-phthalazin-1-olate Formula: C16H22N3O2- MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-4-10(3)9-11(5-2)17-13-8-6-7-12-14(13)16(21)19-18-15(12)20/h6-8,10-11,17H,4-5,9H2,1-3H3,(H,18,20)(H,19,21)/p-1/t10-,11-/m0/s1