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

Systemtic Name: N-[[6-[2,6-bis(fluoranyl)phenyl]-8-chloranyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methoxy]-N-methyl-propan-1-amine Openeye Name: N-[[8-chloro-6-(2,6-difluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methoxy]-N-methyl-propan-1-amine CAS Name: N-[[8-chloro-6-(2,6-difluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methoxy]-N-methyl-1-propanamine IUPAC Name: N-[[8-chloro-6-(2,6-difluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methoxy]-N-methylpropan-1-amine Traditional Name: [8-chloro-6-(2,6-difluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methoxy-methyl-propyl-amine Formula: C21H20ClF2N5O MolecularWeight: 431.866206

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)OCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=C(C=CC=C4F)F

Isomeric SMILES

CCCN(C)OCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=C(C=CC=C4F)F

InChI

InChI=1S/C21H20ClF2N5O/c1-3-9-28(2)30-12-19-27-26-18-11-25-21(20-15(23)5-4-6-16(20)24)14-10-13(22)7-8-17(14)29(18)19/h4-8,10H,3,9,11-12H2,1-2H3