6-(2-chlorophenyl)-1-cyclopropyl-3H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carboxylic acid

Systemtic Name: 6-(2-chlorophenyl)-1-cyclopropyl-3H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carboxylic acid Openeye Name: 6-(2-chlorophenyl)-1-cyclopropyl-3H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carboxylic acid CAS Name: 6-(2-chlorophenyl)-1-cyclopropyl-3H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carboxylic acid IUPAC Name: 6-(2-chlorophenyl)-1-cyclopropyl-3H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carboxylic acid Traditional Name: 6-(2-chlorophenyl)-1-cyclopropyl-3H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carboxylic acid Formula: C20H15ClN4O2 MolecularWeight: 378.8117

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC3=CN=C(C4=C(N32)C=CC(=C4)C(=O)O)C5=CC=CC=C5Cl

Isomeric SMILES

C1CC1C2=NNC3=CN=C(C4=C(N32)C=CC(=C4)C(=O)O)C5=CC=CC=C5Cl

InChI

InChI=1S/C20H15ClN4O2/c21-15-4-2-1-3-13(15)18-14-9-12(20(26)27)7-8-16(14)25-17(10-22-18)23-24-19(25)11-5-6-11/h1-4,7-11,23H,5-6H2,(H,26,27)