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

Systemtic Name: 1H-pyrazol-5-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 1H-pyrazol-5-yl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone CAS Name: 1H-pyrazol-5-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1H-pyrazol-5-yl-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Traditional Name: 1H-pyrazol-5-yl-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone Formula: C15H16F3N5O MolecularWeight: 339.31565

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=NN2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=NN2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C15H16F3N5O/c16-15(17,18)11-2-3-13(19-10-11)22-6-1-7-23(9-8-22)14(24)12-4-5-20-21-12/h2-5,10H,1,6-9H2,(H,20,21)