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

Systemtic Name: N-(4-phenylmethoxyphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-benzyloxyphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-phenylmethoxyphenyl)-4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-phenylmethoxyphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-benzoxyphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane-1-carboxamide Formula: C24H24F3N5O2 MolecularWeight: 471.47487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC=CC(=N4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC=CC(=N4)C(F)(F)F

InChI

InChI=1S/C24H24F3N5O2/c25-24(26,27)21-11-12-28-22(30-21)31-13-4-14-32(16-15-31)23(33)29-19-7-9-20(10-8-19)34-17-18-5-2-1-3-6-18/h1-3,5-12H,4,13-17H2,(H,29,33)