N-(1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)methyl]-3,4,5-trimethyl-pyrrole-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)methyl]-3,4,5-trimethyl-pyrrole-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)methyl]-3,4,5-trimethyl-pyrrole-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)methyl]-3,4,5-trimethyl-2-pyrrolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-fluorobenzyl)-3,4,5-trimethyl-pyrrole-2-carboxamide Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C)C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C)C(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC(=CC=C4)F)C

InChI

InChI=1S/C22H21FN2O3/c1-13-14(2)21(25(15(13)3)11-16-5-4-6-17(23)9-16)22(26)24-18-7-8-19-20(10-18)28-12-27-19/h4-10H,11-12H2,1-3H3,(H,24,26)