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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-3-fluoranyl-benzamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-3-fluoro-N-sec-butyl-benzamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-3-fluorobenzamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-yl-3-fluorobenzamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-3-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(=CC=C4)F

Isomeric SMILES

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

InChI

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