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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxidanylidene-ethyl]-N-butyl-3-fluoranyl-benzamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxo-ethyl]-N-butyl-3-fluoro-benzamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-butylamino]-2-oxoethyl]-N-butyl-3-fluorobenzamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butylamino]-2-oxoethyl]-N-butyl-3-fluorobenzamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-butyl-amino]-2-keto-ethyl]-N-butyl-3-fluoro-benzamide Formula: C29H35BrFN3O2 MolecularWeight: 556.509503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35BrFN3O2/c1-3-5-16-33(21-27-11-8-18-32(27)20-23-12-14-25(30)15-13-23)28(35)22-34(17-6-4-2)29(36)24-9-7-10-26(31)19-24/h7-15,18-19H,3-6,16-17,20-22H2,1-2H3