2-[4-(3-bromanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(3-bromanylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(3-bromo-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(3-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Formula: C18H19BrFN3O2S MolecularWeight: 440.329763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(C=CS2)Br)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(C=CS2)Br)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H19BrFN3O2S/c19-15-6-11-26-17(15)18(25)23-8-1-7-22(9-10-23)12-16(24)21-14-4-2-13(20)3-5-14/h2-6,11H,1,7-10,12H2,(H,21,24)