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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-(3-bromophenyl)-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-(3-bromophenyl)-2-methyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-(3-bromophenyl)-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-(3-bromophenyl)-2-methylpyrrole-3-carboxamide Traditional Name: 5-(3-bromophenyl)-2-methyl-1-piperonyl-pyrrole-3-carboxamide Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Br)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Br)C(=O)N

InChI

InChI=1S/C20H17BrN2O3/c1-12-16(20(22)24)9-17(14-3-2-4-15(21)8-14)23(12)10-13-5-6-18-19(7-13)26-11-25-18/h2-9H,10-11H2,1H3,(H2,22,24)