1-tert-butyl-7-chloranyl-3-fluoranyl-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-tert-butyl-7-chloranyl-3-fluoranyl-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-tert-butyl-7-chloro-3-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-tert-butyl-7-chloro-3-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-tert-butyl-7-chloro-3-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-tert-butyl-7-chloro-3-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C19H18ClFN2O MolecularWeight: 344.810423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)F)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClFN2O/c1-19(2,3)23-15-10-9-13(20)11-14(15)16(22-17(21)18(23)24)12-7-5-4-6-8-12/h4-11,17H,1-3H3