thiophen-3-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: thiophen-3-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 3-thienyl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone CAS Name: 3-thiophenyl-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: thiophen-3-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Traditional Name: 3-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=CSC=C2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N3OS/c17-16(18,19)13-2-3-14(20-10-13)21-5-1-6-22(8-7-21)15(23)12-4-9-24-11-12/h2-4,9-11H,1,5-8H2