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

Systemtic Name: 2-fluoranyl-2-phenyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-fluoro-2-phenyl-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-fluoro-2-phenyl-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-fluoro-2-phenyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-fluoro-2-phenyl-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C18H21FN2OS MolecularWeight: 332.435543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2OS/c19-17(16-5-2-1-3-6-16)18(22)21-9-4-8-20(10-11-21)13-15-7-12-23-14-15/h1-3,5-7,12,14,17H,4,8-11,13H2