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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H30N2O3/c1-3-4-5-13-28(26(29)22-11-12-24-25(16-22)31-19-30-24)18-23-10-7-14-27(23)17-21-9-6-8-20(2)15-21/h6-12,14-16H,3-5,13,17-19H2,1-2H3