N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-pentanamide

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-pentanamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-sec-butyl-pentanamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-ylpentanamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-ylpentanamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-N-sec-butyl-valeramide Formula: C29H42BrN3O2 MolecularWeight: 544.56668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(C)CC

Isomeric SMILES

CCCCC(=O)N(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(C)CC

InChI

InChI=1S/C29H42BrN3O2/c1-4-6-14-28(34)32(23(3)5-2)22-29(35)33(26-11-8-7-9-12-26)21-27-13-10-19-31(27)20-24-15-17-25(30)18-16-24/h10,13,15-19,23,26H,4-9,11-12,14,20-22H2,1-3H3