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

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-butoxy-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-butoxy-benzamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-4-butoxy-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-butoxybenzamide Traditional Name: N-benzyl-N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-4-butoxy-benzamide Formula: C30H31BrN2O2 MolecularWeight: 531.48334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=C(C=C4)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=C(C=C4)Br

InChI

InChI=1S/C30H31BrN2O2/c1-2-3-20-35-29-17-13-26(14-18-29)30(34)33(22-24-8-5-4-6-9-24)23-28-10-7-19-32(28)21-25-11-15-27(31)16-12-25/h4-19H,2-3,20-23H2,1H3