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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-(4-cyanophenyl)-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-(4-cyanophenyl)-2-methyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-(4-cyanophenyl)-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide Traditional Name: 5-(4-cyanophenyl)-2-methyl-1-piperonyl-pyrrole-3-carboxamide Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3/c1-13-17(21(23)25)9-18(16-5-2-14(10-22)3-6-16)24(13)11-15-4-7-19-20(8-15)27-12-26-19/h2-9H,11-12H2,1H3,(H2,23,25)