1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-5-ethyl-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-5-ethyl-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-5-ethyl-2-methyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-5-ethyl-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-5-ethyl-2-methylpyrrole-3-carboxamide Traditional Name: 4-(4-bromophenyl)-5-ethyl-2-methyl-1-piperonyl-pyrrole-3-carboxamide Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN2O3/c1-3-17-21(15-5-7-16(23)8-6-15)20(22(24)26)13(2)25(17)11-14-4-9-18-19(10-14)28-12-27-18/h4-10H,3,11-12H2,1-2H3,(H2,24,26)