3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-fluoro-4-methoxy-phenyl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-fluoro-4-methoxyphenyl)-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-fluoro-4-methoxyphenyl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3-fluoro-4-methoxy-phenyl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]propan-1-one Formula: C19H20FN3O5S MolecularWeight: 421.442603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])F

InChI

InChI=1S/C19H20FN3O5S/c1-28-15-4-2-13(12-14(15)20)3-6-17(24)21-8-10-22(11-9-21)19(25)16-5-7-18(29-16)23(26)27/h2,4-5,7,12H,3,6,8-11H2,1H3