N-[[6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]-1H-indole-2-carboxamide

Systemtic Name: N-[[6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-[[6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]-1H-indole-2-carboxamide CAS Name: N-[[6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-[[6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]-1H-indole-2-carboxamide Traditional Name: N-[[6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl]-1H-indole-2-carboxamide Formula: C26H19ClN6O MolecularWeight: 466.92166

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=C(N2C3=CC=CC=C3C(=N1)C4=CC=CC=C4Cl)CNC(=O)C5=CC6=CC=CC=C6N5

Isomeric SMILES

C1C2=NN=C(N2C3=CC=CC=C3C(=N1)C4=CC=CC=C4Cl)CNC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C26H19ClN6O/c27-19-10-4-2-8-17(19)25-18-9-3-6-12-22(18)33-23(14-28-25)31-32-24(33)15-29-26(34)21-13-16-7-1-5-11-20(16)30-21/h1-13,30H,14-15H2,(H,29,34)