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

Systemtic Name: 3-azanyl-5-phenyl-1-[2,2,2-tris(fluoranyl)ethyl]-9aH-1,4-benzodiazepin-2-one Openeye Name: 3-amino-5-phenyl-1-(2,2,2-trifluoroethyl)-9aH-1,4-benzodiazepin-2-one CAS Name: 3-amino-5-phenyl-1-(2,2,2-trifluoroethyl)-9aH-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-5-phenyl-1-(2,2,2-trifluoroethyl)-9aH-1,4-benzodiazepin-2-one Traditional Name: 3-amino-5-phenyl-1-(2,2,2-trifluoroethyl)-9aH-1,4-benzodiazepin-2-one Formula: C17H14F3N3O MolecularWeight: 333.30777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N3O/c18-17(19,20)10-23-13-9-5-4-8-12(13)14(22-15(21)16(23)24)11-6-2-1-3-7-11/h1-9,13H,10H2,(H2,21,22)