1-[6-[2,4-bis(fluoranyl)phenyl]-8-chloranyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N,N-dimethyl-propan-2-amine

Systemtic Name: 1-[6-[2,4-bis(fluoranyl)phenyl]-8-chloranyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N,N-dimethyl-propan-2-amine Openeye Name: 1-[8-chloro-6-(2,4-difluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N,N-dimethyl-propan-2-amine CAS Name: 1-[8-chloro-6-(2,4-difluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N,N-dimethyl-2-propanamine IUPAC Name: 1-[8-chloro-6-(2,4-difluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N,N-dimethylpropan-2-amine Traditional Name: [2-[8-chloro-6-(2,4-difluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-1-methyl-ethyl]-dimethyl-amine Formula: C21H20ClF2N5 MolecularWeight: 415.866806

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=C(C=C(C=C4)F)F)N(C)C

Isomeric SMILES

CC(CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=C(C=C(C=C4)F)F)N(C)C

InChI

InChI=1S/C21H20ClF2N5/c1-12(28(2)3)8-19-26-27-20-11-25-21(15-6-5-14(23)10-17(15)24)16-9-13(22)4-7-18(16)29(19)20/h4-7,9-10,12H,8,11H2,1-3H3