N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-3-phenyl-propanamide

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-3-phenyl-propanamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-3-phenyl-N-sec-butyl-propanamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-3-phenylpropanamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-3-phenylpropanamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-3-phenyl-N-sec-butyl-propionamide Formula: C33H42BrN3O2 MolecularWeight: 592.60948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C33H42BrN3O2/c1-3-26(2)36(32(38)21-18-27-11-6-4-7-12-27)25-33(39)37(30-13-8-5-9-14-30)24-31-15-10-22-35(31)23-28-16-19-29(34)20-17-28/h4,6-7,10-12,15-17,19-20,22,26,30H,3,5,8-9,13-14,18,21,23-25H2,1-2H3