5-phenyl-1-[2,2,2-tris(fluoranyl)ethyl]-9aH-1,4-benzodiazepin-2-one

Systemtic Name: 5-phenyl-1-[2,2,2-tris(fluoranyl)ethyl]-9aH-1,4-benzodiazepin-2-one Openeye Name: 5-phenyl-1-(2,2,2-trifluoroethyl)-9aH-1,4-benzodiazepin-2-one CAS Name: 5-phenyl-1-(2,2,2-trifluoroethyl)-9aH-1,4-benzodiazepin-2-one IUPAC Name: 5-phenyl-1-(2,2,2-trifluoroethyl)-9aH-1,4-benzodiazepin-2-one Traditional Name: 5-phenyl-1-(2,2,2-trifluoroethyl)-9aH-1,4-benzodiazepin-2-one Formula: C17H13F3N2O MolecularWeight: 318.29313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=CC3N(C(=O)C=N2)CC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3N(C(=O)C=N2)CC(F)(F)F

InChI

InChI=1S/C17H13F3N2O/c18-17(19,20)11-22-14-9-5-4-8-13(14)16(21-10-15(22)23)12-6-2-1-3-7-12/h1-10,14H,11H2