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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-4-fluoranyl-benzamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-4-fluoro-N-sec-butyl-benzamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-4-fluorobenzamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-4-fluorobenzamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-4-fluoro-N-sec-butyl-benzamide Formula: C31H37BrFN3O2 MolecularWeight: 582.546783

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C31H37BrFN3O2/c1-3-23(2)35(31(38)25-13-17-27(33)18-14-25)22-30(37)36(28-8-5-4-6-9-28)21-29-10-7-19-34(29)20-24-11-15-26(32)16-12-24/h7,10-19,23,28H,3-6,8-9,20-22H2,1-2H3