N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-4-ethyl-benzamide

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-4-ethyl-benzamide Openeye Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-4-ethyl-benzamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-cyclohexyl-4-ethylbenzamide IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-4-ethylbenzamide Traditional Name: N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-cyclohexyl-4-ethyl-benzamide Formula: C27H31BrN2O MolecularWeight: 479.45184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC=C(C=C3)Br)C4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC=C(C=C3)Br)C4CCCCC4

InChI

InChI=1S/C27H31BrN2O/c1-2-21-10-14-23(15-11-21)27(31)30(25-7-4-3-5-8-25)20-26-9-6-18-29(26)19-22-12-16-24(28)17-13-22/h6,9-18,25H,2-5,7-8,19-20H2,1H3