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

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-3,5-dimethoxy-benzamide Openeye Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-3,5-dimethoxy-benzamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-butyl-3,5-dimethoxybenzamide IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-3,5-dimethoxybenzamide Traditional Name: N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-butyl-3,5-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=CC(=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

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