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

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-hexyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-hexyl-benzamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-4-hexyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-hexylbenzamide Traditional Name: N-benzyl-N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-4-hexyl-benzamide Formula: C32H35BrN2O MolecularWeight: 543.5371

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=C(C=C4)Br

InChI

InChI=1S/C32H35BrN2O/c1-2-3-4-6-10-26-14-18-29(19-15-26)32(36)35(24-27-11-7-5-8-12-27)25-31-13-9-22-34(31)23-28-16-20-30(33)21-17-28/h5,7-9,11-22H,2-4,6,10,23-25H2,1H3