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

Systemtic Name: 3-azanyl-9-chloranyl-5-phenyl-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-9-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-9-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-9-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-9-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one Formula: C17H13ClF3N3O MolecularWeight: 367.75283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=C2C=CC=C3Cl)CC(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=C2C=CC=C3Cl)CC(F)(F)F)N

InChI

InChI=1S/C17H13ClF3N3O/c18-12-8-4-7-11-13(10-5-2-1-3-6-10)23-15(22)16(25)24(14(11)12)9-17(19,20)21/h1-8,15H,9,22H2