N-[5-ethyl-3-[(4-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-[(4-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(4-fluorophenyl)-[4-(2-pyridyl)piperazin-1-yl]methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(4-fluorophenyl)-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(4-fluorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(4-fluorophenyl)-[4-(2-pyridyl)piperazino]methyl]-2-thienyl]benzamide Formula: C29H29FN4OS MolecularWeight: 500.630163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)F)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)F)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C29H29FN4OS/c1-2-24-20-25(29(36-24)32-28(35)22-8-4-3-5-9-22)27(21-11-13-23(30)14-12-21)34-18-16-33(17-19-34)26-10-6-7-15-31-26/h3-15,20,27H,2,16-19H2,1H3,(H,32,35)