3-chloranyl-6-[(3S)-3-(2-methoxyethyl)-4-methyl-piperazin-1-yl]-8-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 3-chloranyl-6-[(3S)-3-(2-methoxyethyl)-4-methyl-piperazin-1-yl]-8-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine Openeye Name: 3-chloro-6-[(3S)-3-(2-methoxyethyl)-4-methyl-piperazin-1-yl]-8-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine CAS Name: 3-chloro-6-[(3S)-3-(2-methoxyethyl)-4-methyl-1-piperazinyl]-8-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 3-chloro-6-[(3S)-3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-8-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine Traditional Name: 3-chloro-6-[(3S)-3-(2-methoxyethyl)-4-methyl-piperazino]-8-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine Formula: C22H24ClF3N4O MolecularWeight: 452.90037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1CCOC)C2=C3C=C(C=CC3=NC4=C(N2)C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

CN1CCN(C[C@@H]1CCOC)C2=C3C=C(C=CC3=NC4=C(N2)C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C22H24ClF3N4O/c1-29-8-9-30(13-16(29)7-10-31-2)21-17-11-14(22(24,25)26)3-5-18(17)27-19-6-4-15(23)12-20(19)28-21/h3-6,11-12,16,28H,7-10,13H2,1-2H3/t16-/m0/s1