N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-butyl-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-butyl-piperonylamide Formula: C24H25BrN2O3 MolecularWeight: 469.3709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN2O3/c1-2-3-12-27(24(28)19-8-11-22-23(14-19)30-17-29-22)16-21-5-4-13-26(21)15-18-6-9-20(25)10-7-18/h4-11,13-14H,2-3,12,15-17H2,1H3