(3-bromanyl-2-fluoranyl-phenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromanyl-2-fluoranyl-phenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-2-fluoro-phenyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-2-fluorophenyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromo-2-fluorophenyl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-2-fluoro-phenyl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C17H18BrFN2OS MolecularWeight: 397.305023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrFN2OS/c18-15-4-1-3-14(16(15)19)17(22)21-7-2-6-20(8-9-21)11-13-5-10-23-12-13/h1,3-5,10,12H,2,6-9,11H2