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

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-(phenylmethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-(phenylmethyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-benzyl-N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-piperonylamide Formula: C27H23BrN2O3 MolecularWeight: 503.38712

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)N(CC3=CC=CC=C3)CC4=CC=CN4CC5=CC=C(C=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N(CC3=CC=CC=C3)CC4=CC=CN4CC5=CC=C(C=C5)Br

InChI

InChI=1S/C27H23BrN2O3/c28-23-11-8-21(9-12-23)16-29-14-4-7-24(29)18-30(17-20-5-2-1-3-6-20)27(31)22-10-13-25-26(15-22)33-19-32-25/h1-15H,16-19H2