1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-[(5-nitrothiophen-3-yl)methyl]piperazine

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-[(5-nitrothiophen-3-yl)methyl]piperazine Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-4-[(5-nitro-3-thienyl)methyl]piperazine CAS Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-[(5-nitro-3-thiophenyl)methyl]piperazine IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-[(5-nitrothiophen-3-yl)methyl]piperazine Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)-4-[(5-nitro-3-thienyl)methyl]piperazine Formula: C17H20FN3O3S MolecularWeight: 365.422403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CSC(=C3)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CSC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C17H20FN3O3S/c1-24-16-3-2-13(8-15(16)18)10-19-4-6-20(7-5-19)11-14-9-17(21(22)23)25-12-14/h2-3,8-9,12H,4-7,10-11H2,1H3