ethyl 8-iodanyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 8-iodanyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 8-iodo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 8-iodo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-iodo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 8-iodo-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C20H16IN3O2 MolecularWeight: 457.26441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)I)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)I)C4=CC=CC=C4

InChI

InChI=1S/C20H16IN3O2/c1-2-26-20(25)19-17-11-22-18(13-6-4-3-5-7-13)15-10-14(21)8-9-16(15)24(17)12-23-19/h3-10,12H,2,11H2,1H3