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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-furan-2-carboxamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-sec-butyl-furan-2-carboxamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-2-furancarboxamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-ylfuran-2-carboxamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-N-sec-butyl-2-furamide Formula: C29H36BrN3O3 MolecularWeight: 554.51844

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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)C4=CC=CO4

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C29H36BrN3O3/c1-3-22(2)32(29(35)27-12-8-18-36-27)21-28(34)33(25-9-5-4-6-10-25)20-26-11-7-17-31(26)19-23-13-15-24(30)16-14-23/h7-8,11-18,22,25H,3-6,9-10,19-21H2,1-2H3