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

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-pentyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-pentyl-benzamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-4-pentyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-pentylbenzamide Traditional Name: 4-amyl-N-benzyl-N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]benzamide Formula: C31H33BrN2O MolecularWeight: 529.51052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=C(C=C4)Br

InChI

InChI=1S/C31H33BrN2O/c1-2-3-5-9-25-13-17-28(18-14-25)31(35)34(23-26-10-6-4-7-11-26)24-30-12-8-21-33(30)22-27-15-19-29(32)20-16-27/h4,6-8,10-21H,2-3,5,9,22-24H2,1H3