3-azanyl-5-phenyl-1-[4,4,4-tris(fluoranyl)butyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-5-phenyl-1-[4,4,4-tris(fluoranyl)butyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-5-phenyl-1-(4,4,4-trifluorobutyl)-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-5-phenyl-1-(4,4,4-trifluorobutyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-5-phenyl-1-(4,4,4-trifluorobutyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-5-phenyl-1-(4,4,4-trifluorobutyl)-3H-1,4-benzodiazepin-2-one Formula: C19H18F3N3O MolecularWeight: 361.36093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CCCC(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CCCC(F)(F)F)N

InChI

InChI=1S/C19H18F3N3O/c20-19(21,22)11-6-12-25-15-10-5-4-9-14(15)16(24-17(23)18(25)26)13-7-2-1-3-8-13/h1-5,7-10,17H,6,11-12,23H2