3-[3-[2-[di(propan-2-yl)azaniumyl]ethylamino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-[2-[di(propan-2-yl)azaniumyl]ethylamino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[2-(diisopropylammonio)ethylamino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[2-[di(propan-2-yl)ammonio]ethylamino]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[2-[di(propan-2-yl)azaniumyl]ethylamino]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 3-[3-[2-(diisopropylammonio)ethylamino]-3-keto-propyl]-4-keto-phthalazin-1-olate Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)[O-])C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)[O-])C(C)C

InChI

InChI=1S/C19H28N4O3/c1-13(2)22(14(3)4)12-10-20-17(24)9-11-23-19(26)16-8-6-5-7-15(16)18(25)21-23/h5-8,13-14H,9-12H2,1-4H3,(H,20,24)(H,21,25)