N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-amyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-piperonylamide Formula: C26H30N2O3 MolecularWeight: 418.528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H30N2O3/c1-3-4-7-14-28(26(29)21-12-13-24-25(16-21)31-19-30-24)18-23-11-8-15-27(23)17-22-10-6-5-9-20(22)2/h5-6,8-13,15-16H,3-4,7,14,17-19H2,1-2H3