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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C#N

InChI

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