N-(1,3-benzodioxol-5-ylmethyl)-3-cyano-1-(2,4-dimethylphenyl)pyrrole-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-cyano-1-(2,4-dimethylphenyl)pyrrole-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-cyano-1-(2,4-dimethylphenyl)pyrrole-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-cyano-1-(2,4-dimethylphenyl)-2-pyrrolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-cyano-1-(2,4-dimethylphenyl)pyrrole-2-carboxamide Traditional Name: 3-cyano-1-(2,4-dimethylphenyl)-N-piperonyl-pyrrole-2-carboxamide Formula: C22H19N3O3 MolecularWeight: 373.40456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC(=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC(=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C#N)C

InChI

InChI=1S/C22H19N3O3/c1-14-3-5-18(15(2)9-14)25-8-7-17(11-23)21(25)22(26)24-12-16-4-6-19-20(10-16)28-13-27-19/h3-10H,12-13H2,1-2H3,(H,24,26)