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

Systemtic Name: N-(4-fluorophenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-fluorophenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-fluorophenyl)-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-fluorophenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-fluorophenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Formula: C17H17F4N5O MolecularWeight: 383.343393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F4N5O/c18-12-2-4-13(5-3-12)23-16(27)26-9-1-8-25(10-11-26)15-22-7-6-14(24-15)17(19,20)21/h2-7H,1,8-11H2,(H,23,27)