ethyl 8-chloranyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylate

Systemtic Name: ethyl 8-chloranyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylate Openeye Name: ethyl 8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylate CAS Name: 8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylate Traditional Name: 8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylic acid ethyl ester Formula: C19H15ClN4O2 MolecularWeight: 366.801

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C19H15ClN4O2/c1-2-26-19(25)18-23-22-16-11-21-17(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)24(16)18/h3-10H,2,11H2,1H3