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

Systemtic Name: 2-[[2-[[(4-fluorophenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[2-[[(4-fluorobenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-pentyl-thiazole-4-carboxamide CAS Name: 2-[[2-[[[(4-fluorophenyl)-oxomethyl]-propylamino]methyl]-1-pyrrolyl]methyl]-N-pentyl-4-thiazolecarboxamide IUPAC Name: 2-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Traditional Name: N-amyl-2-[[2-[[(4-fluorobenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]thiazole-4-carboxamide Formula: C25H31FN4O2S MolecularWeight: 470.602643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31FN4O2S/c1-3-5-6-13-27-24(31)22-18-33-23(28-22)17-29-15-7-8-21(29)16-30(14-4-2)25(32)19-9-11-20(26)12-10-19/h7-12,15,18H,3-6,13-14,16-17H2,1-2H3,(H,27,31)