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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-2,5-dimethyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-2,5-dimethyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromophenyl)-2,5-dimethylpyrrole-3-carboxamide Traditional Name: 4-(4-bromophenyl)-2,5-dimethyl-1-piperonyl-pyrrole-3-carboxamide Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O3/c1-12-19(15-4-6-16(22)7-5-15)20(21(23)25)13(2)24(12)10-14-3-8-17-18(9-14)27-11-26-17/h3-9H,10-11H2,1-2H3,(H2,23,25)