N-[4-[[4-(3-bromanyl-2-fluoranyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(3-bromanyl-2-fluoranyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(3-bromo-2-fluoro-benzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(3-bromo-2-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(3-bromo-2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(3-bromo-2-fluoro-benzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C21H23BrFN3O2 MolecularWeight: 448.328623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C(=CC=C3)Br)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C(=CC=C3)Br)F

InChI

InChI=1S/C21H23BrFN3O2/c1-15(27)24-17-8-6-16(7-9-17)14-25-10-3-11-26(13-12-25)21(28)18-4-2-5-19(22)20(18)23/h2,4-9H,3,10-14H2,1H3,(H,24,27)