3-azanyl-4-[(2,4,6-trimethoxyphenyl)methyl]-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepine-2,5-dione

Systemtic Name: 3-azanyl-4-[(2,4,6-trimethoxyphenyl)methyl]-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepine-2,5-dione Openeye Name: 3-amino-1-(2,2,2-trifluoroethyl)-4-[(2,4,6-trimethoxyphenyl)methyl]-3H-1,4-benzodiazepine-2,5-dione CAS Name: 3-amino-1-(2,2,2-trifluoroethyl)-4-[(2,4,6-trimethoxyphenyl)methyl]-3H-1,4-benzodiazepine-2,5-dione IUPAC Name: 3-amino-1-(2,2,2-trifluoroethyl)-4-[(2,4,6-trimethoxyphenyl)methyl]-3H-1,4-benzodiazepine-2,5-dione Traditional Name: 3-amino-1-(2,2,2-trifluoroethyl)-4-(2,4,6-trimethoxybenzyl)-3H-1,4-benzodiazepine-2,5-quinone Formula: C21H22F3N3O5 MolecularWeight: 453.41169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)CN2C(C(=O)N(C3=CC=CC=C3C2=O)CC(F)(F)F)N)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)CN2C(C(=O)N(C3=CC=CC=C3C2=O)CC(F)(F)F)N)OC

InChI

InChI=1S/C21H22F3N3O5/c1-30-12-8-16(31-2)14(17(9-12)32-3)10-26-18(25)20(29)27(11-21(22,23)24)15-7-5-4-6-13(15)19(26)28/h4-9,18H,10-11,25H2,1-3H3