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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C20H23BrFN3O MolecularWeight: 420.318523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NC2=C(C=C(C=C2)Br)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NC2=C(C=C(C=C2)Br)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H23BrFN3O/c21-17-7-8-19(18(22)13-17)23-20(26)15-25-10-4-9-24(11-12-25)14-16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14-15H2,(H,23,26)