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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-(4-pentylphenyl)pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-(4-pentylphenyl)pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-(4-pentylphenyl)-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-(4-pentylphenyl)pyrrole-3-carboxamide Traditional Name: 5-(4-amylphenyl)-2-methyl-1-piperonyl-pyrrole-3-carboxamide Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC(=C(N2CC3=CC4=C(C=C3)OCO4)C)C(=O)N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC(=C(N2CC3=CC4=C(C=C3)OCO4)C)C(=O)N

InChI

InChI=1S/C25H28N2O3/c1-3-4-5-6-18-7-10-20(11-8-18)22-14-21(25(26)28)17(2)27(22)15-19-9-12-23-24(13-19)30-16-29-23/h7-14H,3-6,15-16H2,1-2H3,(H2,26,28)