N-[2,4-bis(fluoranyl)phenyl]-2-[4-[(5-bromanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-[4-[(5-bromanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]-N-(2,4-difluorophenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,4-difluorophenyl)acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]-1,4-diazepan-1-yl]-N-(2,4-difluorophenyl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]-N-(2,4-difluorophenyl)acetamide Formula: C18H20BrF2N3OS MolecularWeight: 444.336706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NC2=C(C=C(C=C2)F)F)CC3=CC=C(S3)Br

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NC2=C(C=C(C=C2)F)F)CC3=CC=C(S3)Br

InChI

InChI=1S/C18H20BrF2N3OS/c19-17-5-3-14(26-17)11-23-6-1-7-24(9-8-23)12-18(25)22-16-4-2-13(20)10-15(16)21/h2-5,10H,1,6-9,11-12H2,(H,22,25)