phenyl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: phenyl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone Openeye Name: phenyl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone CAS Name: phenyl-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: phenyl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone Traditional Name: phenyl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methanone Formula: C17H17F3N4O MolecularWeight: 350.33829

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O/c18-17(19,20)14-7-8-21-16(22-14)24-10-4-9-23(11-12-24)15(25)13-5-2-1-3-6-13/h1-3,5-8H,4,9-12H2