1-(1,3-benzodioxol-5-ylmethyl)-4-(3-fluorophenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-fluorophenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-fluorophenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-fluorophenyl)-2-methyl-5-pentyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-fluorophenyl)-2-methyl-5-pentylpyrrole-3-carboxamide Traditional Name: 5-amyl-4-(3-fluorophenyl)-2-methyl-1-piperonyl-pyrrole-3-carboxamide Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC(=CC=C4)F

Isomeric SMILES

CCCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H27FN2O3/c1-3-4-5-9-20-24(18-7-6-8-19(26)13-18)23(25(27)29)16(2)28(20)14-17-10-11-21-22(12-17)31-15-30-21/h6-8,10-13H,3-5,9,14-15H2,1-2H3,(H2,27,29)