N-(4-phenylmethoxyphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-phenylmethoxyphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-benzyloxyphenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-phenylmethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-phenylmethoxyphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-benzoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide Formula: C25H25F3N4O2 MolecularWeight: 470.48681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25F3N4O2/c26-25(27,28)20-7-12-23(29-17-20)31-13-4-14-32(16-15-31)24(33)30-21-8-10-22(11-9-21)34-18-19-5-2-1-3-6-19/h1-3,5-12,17H,4,13-16,18H2,(H,30,33)