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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-3-fluoranyl-N-(3-methoxypropyl)benzamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-3-fluoro-N-(3-methoxypropyl)benzamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-3-fluoro-N-(3-methoxypropyl)benzamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-3-fluoro-N-(3-methoxypropyl)benzamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-3-fluoro-N-(3-methoxypropyl)benzamide Formula: C31H37BrFN3O3 MolecularWeight: 598.546183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37BrFN3O3/c1-39-19-7-18-35(31(38)25-8-5-9-27(33)20-25)23-30(37)36(28-10-3-2-4-11-28)22-29-12-6-17-34(29)21-24-13-15-26(32)16-14-24/h5-6,8-9,12-17,20,28H,2-4,7,10-11,18-19,21-23H2,1H3