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

Systemtic Name: N-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-butyl-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-butyl-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-butyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-butyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-piperonylamide Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-3-4-13-27(25(28)20-11-12-23-24(15-20)30-18-29-23)17-22-10-7-14-26(22)16-21-9-6-5-8-19(21)2/h5-12,14-15H,3-4,13,16-18H2,1-2H3