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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyanophenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyanophenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyanophenyl)-2-methyl-5-pentyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-cyanophenyl)-2-methyl-5-pentylpyrrole-3-carboxamide Traditional Name: 5-amyl-4-(4-cyanophenyl)-2-methyl-1-piperonyl-pyrrole-3-carboxamide Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H27N3O3/c1-3-4-5-6-21-25(20-10-7-18(14-27)8-11-20)24(26(28)30)17(2)29(21)15-19-9-12-22-23(13-19)32-16-31-22/h7-13H,3-6,15-16H2,1-2H3,(H2,28,30)