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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-propan-2-yl-pentanamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-isopropyl-pentanamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-N-propan-2-ylpentanamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-propan-2-ylpentanamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-N-isopropyl-valeramide Formula: C28H40BrN3O2 MolecularWeight: 530.5401

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H40BrN3O2/c1-4-5-13-27(33)31(22(2)3)21-28(34)32(25-10-7-6-8-11-25)20-26-12-9-18-30(26)19-23-14-16-24(29)17-15-23/h9,12,14-18,22,25H,4-8,10-11,13,19-21H2,1-3H3