2-[2-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-[4-(5-nitrothiophene-2-carbonyl)piperazino]ethyl]phthalazin-1-one Formula: C19H17N5O5S MolecularWeight: 427.43378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C=N2)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C=N2)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5S/c25-16(12-23-18(26)14-4-2-1-3-13(14)11-20-23)21-7-9-22(10-8-21)19(27)15-5-6-17(30-15)24(28)29/h1-6,11H,7-10,12H2