2-methyl-4-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C19H17N5O5S MolecularWeight: 427.43378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5S/c1-21-17(25)13-5-3-2-4-12(13)16(20-21)19(27)23-10-8-22(9-11-23)18(26)14-6-7-15(30-14)24(28)29/h2-7H,8-11H2,1H3