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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-4-ethyl-benzamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-4-ethyl-N-sec-butyl-benzamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-4-ethylbenzamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-4-ethylbenzamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-4-ethyl-N-sec-butyl-benzamide Formula: C33H42BrN3O2 MolecularWeight: 592.60948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H42BrN3O2/c1-4-25(3)36(33(39)28-17-13-26(5-2)14-18-28)24-32(38)37(30-10-7-6-8-11-30)23-31-12-9-21-35(31)22-27-15-19-29(34)20-16-27/h9,12-21,25,30H,4-8,10-11,22-24H2,1-3H3