3-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[[(1R,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[3-keto-3-[[(1R,2S)-2-methylcyclohexyl]amino]propyl]phthalazin-1-olate Formula: C18H22N3O3- MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C18H23N3O3/c1-12-6-2-5-9-15(12)19-16(22)10-11-21-18(24)14-8-4-3-7-13(14)17(23)20-21/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3,(H,19,22)(H,20,23)/p-1/t12-,15+/m0/s1