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

Systemtic Name: (E)-N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-3-phenyl-N-sec-butyl-prop-2-enamide CAS Name: (E)-N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-3-phenyl-N-sec-butyl-acrylamide Formula: C33H40BrN3O2 MolecularWeight: 590.5936

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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)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C33H40BrN3O2/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/h4,6-7,10-12,15-22,26,30H,3,5,8-9,13-14,23-25H2,1-2H3/b21-18+