thiophen-2-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: thiophen-2-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 2-thienyl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone CAS Name: thiophen-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: thiophen-2-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Traditional Name: 2-thienyl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone Formula: C16H16F3N3OS MolecularWeight: 355.37795

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N3OS/c17-16(18,19)12-4-5-14(20-11-12)21-6-2-7-22(9-8-21)15(23)13-3-1-10-24-13/h1,3-5,10-11H,2,6-9H2