3-[2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazin-1-yl]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[4-[(2-tert-butyl-4-thiazolyl)methyl]-1-piperazinyl]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazino]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C22H26N5O3S- MolecularWeight: 440.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CS1)CN2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

CC(C)(C)C1=NC(=CS1)CN2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C22H27N5O3S/c1-22(2,3)21-23-15(14-31-21)12-25-8-10-26(11-9-25)18(28)13-27-20(30)17-7-5-4-6-16(17)19(29)24-27/h4-7,14H,8-13H2,1-3H3,(H,24,29)/p-1