4-(1-ethylpyrazol-4-yl)carbonyl-1-propan-2-yl-6-[[4-(trifluoromethyloxy)phenyl]methoxy]-1,4-diazepan-2-one

Systemtic Name: 4-(1-ethylpyrazol-4-yl)carbonyl-1-propan-2-yl-6-[[4-(trifluoromethyloxy)phenyl]methoxy]-1,4-diazepan-2-one Openeye Name: 4-(1-ethylpyrazole-4-carbonyl)-1-isopropyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one CAS Name: 4-[(1-ethyl-4-pyrazolyl)-oxomethyl]-1-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one IUPAC Name: 4-(1-ethylpyrazole-4-carbonyl)-1-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one Traditional Name: 4-(1-ethylpyrazole-4-carbonyl)-1-isopropyl-6-[4-(trifluoromethoxy)benzyl]oxy-1,4-diazepan-2-one Formula: C22H27F3N4O4 MolecularWeight: 468.46939

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)C(C)C)OCC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)C(C)C)OCC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C22H27F3N4O4/c1-4-28-10-17(9-26-28)21(31)27-11-19(12-29(15(2)3)20(30)13-27)32-14-16-5-7-18(8-6-16)33-22(23,24)25/h5-10,15,19H,4,11-14H2,1-3H3