6-piperazin-1-yl-3-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine

Systemtic Name: 6-piperazin-1-yl-3-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine Openeye Name: 6-piperazin-1-yl-3-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine CAS Name: 6-(1-piperazinyl)-3-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine IUPAC Name: 6-piperazin-1-yl-3-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine Traditional Name: 6-piperazino-3-(trifluoromethyl)-5H-benzo[b][1,4]benzodiazepine Formula: C18H17F3N4 MolecularWeight: 346.34959

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C18H17F3N4/c19-18(20,21)12-5-6-15-16(11-12)24-17(25-9-7-22-8-10-25)13-3-1-2-4-14(13)23-15/h1-6,11,22,24H,7-10H2