2-[[2-[[(4-fluorophenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-hexyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[2-[[(4-fluorophenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[2-[[(4-fluorobenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-hexyl-thiazole-4-carboxamide CAS Name: 2-[[2-[[[(4-fluorophenyl)-oxomethyl]-propylamino]methyl]-1-pyrrolyl]methyl]-N-hexyl-4-thiazolecarboxamide IUPAC Name: 2-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[2-[[(4-fluorobenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-hexyl-thiazole-4-carboxamide Formula: C26H33FN4O2S MolecularWeight: 484.629223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CSC(=N1)CN2C=CC=C2CN(CCC)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCNC(=O)C1=CSC(=N1)CN2C=CC=C2CN(CCC)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H33FN4O2S/c1-3-5-6-7-14-28-25(32)23-19-34-24(29-23)18-30-16-8-9-22(30)17-31(15-4-2)26(33)20-10-12-21(27)13-11-20/h8-13,16,19H,3-7,14-15,17-18H2,1-2H3,(H,28,32)