N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2,4-dimethoxy-benzamide

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2,4-dimethoxy-benzamide Openeye Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2,4-dimethoxy-benzamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-butyl-2,4-dimethoxybenzamide IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2,4-dimethoxybenzamide Traditional Name: N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-butyl-2,4-dimethoxy-benzamide Formula: C25H29BrN2O3 MolecularWeight: 485.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29BrN2O3/c1-4-5-14-28(25(29)23-13-12-22(30-2)16-24(23)31-3)18-21-7-6-15-27(21)17-19-8-10-20(26)11-9-19/h6-13,15-16H,4-5,14,17-18H2,1-3H3