3-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C19H18ClN4O3S- MolecularWeight: 417.88922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C19H19ClN4O3S/c20-16-6-5-13(28-16)11-22-7-9-23(10-8-22)17(25)12-24-19(27)15-4-2-1-3-14(15)18(26)21-24/h1-6H,7-12H2,(H,21,26)/p-1