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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxidanylidene-ethyl]-3-fluoranyl-N-propyl-benzamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxo-ethyl]-3-fluoro-N-propyl-benzamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-butylamino]-2-oxoethyl]-3-fluoro-N-propylbenzamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butylamino]-2-oxoethyl]-3-fluoro-N-propylbenzamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-butyl-amino]-2-keto-ethyl]-3-fluoro-N-propyl-benzamide Formula: C28H33BrFN3O2 MolecularWeight: 542.482923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCC)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCC)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C28H33BrFN3O2/c1-3-5-16-32(20-26-10-7-17-31(26)19-22-11-13-24(29)14-12-22)27(34)21-33(15-4-2)28(35)23-8-6-9-25(30)18-23/h6-14,17-18H,3-5,15-16,19-21H2,1-2H3