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

Systemtic Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-butyl-N-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]-piperonylamide Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H25ClN2O3/c1-2-3-12-27(24(28)18-10-11-22-23(14-18)30-17-29-22)16-20-8-6-13-26(20)15-19-7-4-5-9-21(19)25/h4-11,13-14H,2-3,12,15-17H2,1H3