N-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide CAS Name: N-phenyl-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Formula: C17H18F3N5O MolecularWeight: 365.35293

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C17H18F3N5O/c18-17(19,20)14-7-8-21-15(23-14)24-9-4-10-25(12-11-24)16(26)22-13-5-2-1-3-6-13/h1-3,5-8H,4,9-12H2,(H,22,26)