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

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxy-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxy-benzamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-2,4-dimethoxy-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide Traditional Name: N-benzyl-N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-2,4-dimethoxy-benzamide Formula: C28H27BrN2O3 MolecularWeight: 519.42958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C28H27BrN2O3/c1-33-25-14-15-26(27(17-25)34-2)28(32)31(19-21-7-4-3-5-8-21)20-24-9-6-16-30(24)18-22-10-12-23(29)13-11-22/h3-17H,18-20H2,1-2H3