N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-phenyl-butanamide

Systemtic Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-phenyl-butanamide Openeye Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-phenyl-butanamide CAS Name: N-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl]-N-cyclohexyl-2-phenylbutanamide IUPAC Name: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-phenylbutanamide Traditional Name: N-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl]-N-cyclohexyl-2-phenyl-butyramide Formula: C28H33BrN2O MolecularWeight: 493.47842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33BrN2O/c1-2-27(23-10-5-3-6-11-23)28(32)31(25-12-7-4-8-13-25)21-26-14-9-19-30(26)20-22-15-17-24(29)18-16-22/h3,5-6,9-11,14-19,25,27H,2,4,7-8,12-13,20-21H2,1H3