methyl 2-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-fluorobenzyl)piperazino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H26FN3O3S MolecularWeight: 467.555643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN3O3S/c1-32-25(31)23-21(19-5-3-2-4-6-19)17-33-24(23)27-22(30)16-29-13-11-28(12-14-29)15-18-7-9-20(26)10-8-18/h2-10,17H,11-16H2,1H3,(H,27,30)