5-phenyl-3-thiophen-2-yl-N-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 5-phenyl-3-thiophen-2-yl-N-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-phenyl-3-(2-thienyl)-N-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 5-phenyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 5-phenyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-phenyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]-(2,2,2-trifluoroethyl)amine Formula: C21H16F3N3S MolecularWeight: 399.43205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=NC3=CC=CC=C32)NCC(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=NC3=CC=CC=C32)NCC(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C21H16F3N3S/c22-21(23,24)13-25-20-19(17-11-6-12-28-17)27-18(14-7-2-1-3-8-14)15-9-4-5-10-16(15)26-20/h1-12,19H,13H2,(H,25,26)