N-[[7-chloranyl-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]-N-ethyl-ethanamine

Systemtic Name: N-[[7-chloranyl-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]-N-ethyl-ethanamine Openeye Name: N-[[7-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]-N-ethyl-ethanamine CAS Name: N-[[7-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]-N-ethylethanamine IUPAC Name: N-[[7-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]-N-ethylethanamine Traditional Name: [7-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl-diethyl-amine Formula: C21H21ClFN5 MolecularWeight: 397.876343

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NN=C2N1C3=C(C(=CC=C3)Cl)C(=NC2)C4=CC=CC=C4F

Isomeric SMILES

CCN(CC)CC1=NN=C2N1C3=C(C(=CC=C3)Cl)C(=NC2)C4=CC=CC=C4F

InChI

InChI=1S/C21H21ClFN5/c1-3-27(4-2)13-19-26-25-18-12-24-21(14-8-5-6-10-16(14)23)20-15(22)9-7-11-17(20)28(18)19/h5-11H,3-4,12-13H2,1-2H3