[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazino]-(5-nitrobenzothiophen-2-yl)methanone Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H20FN3O4S/c1-29-18-4-2-14(10-17(18)22)13-23-6-8-24(9-7-23)21(26)20-12-15-11-16(25(27)28)3-5-19(15)30-20/h2-5,10-12H,6-9,13H2,1H3