6-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]carbonyl-2-(2-phenoxyethyl)pyridazin-3-one

Systemtic Name: 6-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]carbonyl-2-(2-phenoxyethyl)pyridazin-3-one Openeye Name: 6-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one CAS Name: 6-[[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-(2-phenoxyethyl)-3-pyridazinone IUPAC Name: 6-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one Traditional Name: 6-[4-(5-nitrothiophene-2-carbonyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one Formula: C22H21N5O6S MolecularWeight: 483.49704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O6S/c28-19-8-6-17(23-26(19)14-15-33-16-4-2-1-3-5-16)21(29)24-10-12-25(13-11-24)22(30)18-7-9-20(34-18)27(31)32/h1-9H,10-15H2